Structure & Deep Data of Methylsilicon(IV) phthalocyanine hydroxide (C33H20N8OSi)
Identification of Methylsilicon(IV) phthalocyanine hydroxide Chemical Compound
| Chemical Formula | C33H20N8OSi |
|---|---|
| Molecular Weight | 572.6504 g/mol |
| IUPAC Name | (9Z,35Z)-38-methyl-9,18,27,36,37,39,40,41-octaaza-38-siladecacyclo[17.17.3.1^{10,17}.1^{28,35}.0^{2,7}.0^{8,37}.0^{11,16}.0^{20,25}.0^{26,39}.0^{29,34}]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaen-38-ol |
| SMILES String | C[Si]1(O)n2c3N=C9N=C(N=c7n1c(=NC5=NC(=Nc2c4ccccc34)c6ccccc56)c8ccccc78)c%10ccccc9%10 |
| InChI | InChI=1S/C33H20N8OSi/c1-43(42)40-30-22-14-6-7-15-23(22)32(40)38-28-20-12-4-5-13-21(20)29(35-28)39-33-25-17-9-8-16-24(25)31(41(33)43)37-27-19-11-3-2-10-18(19)26(34-27)36-30/h2-17,42H,1H3/b36-26-,36-30-,37-27-,37-31-,38-28-,38-32-,39-29-,39-33- |
| InChIKey | RFJMHYRHTVTYGU-RWKGZJOPSA-N |
Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The Methylsilicon(IV) phthalocyanine hydroxide molecule contains a total of 72 bond(s). There are 52 non-H bond(s), 48 multiple bond(s), 48 aromatic bond(s), 4 five-membered ring(s), 4 six-membered ring(s), 4 nine-membered ring(s), 2 ten-membered ring(s), 2 eleven-membered ring(s), 1 hydroxyl group(s), and 4 Pyrrole(s). Images of the chemical structure of Methylsilicon(IV) phthalocyanine hydroxide are given below:
The 2D chemical structure image of Methylsilicon(IV) phthalocyanine hydroxide is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Methylsilicon(IV) phthalocyanine hydroxide are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.
The 3D chemical structure image of Methylsilicon(IV) phthalocyanine hydroxide is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of Methylsilicon(IV) phthalocyanine hydroxide. Download structure data file (SDF/MOL) file of this compound.
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of Methylsilicon(IV) phthalocyanine hydroxide is provided here.
The Methylsilicon(IV) phthalocyanine hydroxide molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the Methylsilicon(IV) phthalocyanine hydroxide molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of Methylsilicon(IV) phthalocyanine hydroxide can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.
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Additional Information for Identifying Methylsilicon(IV) phthalocyanine hydroxide Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of Methylsilicon(IV) phthalocyanine hydroxide
The SMILES string of Methylsilicon(IV) phthalocyanine hydroxide is C[Si]1(O)n2c3N=C9N=C(N=c7n1c(=NC5=NC(=Nc2c4ccccc34)c6ccccc56)c8ccccc78)c%10ccccc9%10, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Methylsilicon(IV) phthalocyanine hydroxide.
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Structure Data File (SDF/MOL File) of Methylsilicon(IV) phthalocyanine hydroxide
The structure data file (SDF/MOL File) of Methylsilicon(IV) phthalocyanine hydroxide is available for download in the SDF page of Methylsilicon(IV) phthalocyanine hydroxide, which provides the information about the atoms, bonds, connectivity and coordinates of Methylsilicon(IV) phthalocyanine hydroxide. The Methylsilicon(IV) phthalocyanine hydroxide structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of Methylsilicon(IV) phthalocyanine hydroxide
The molecular formula of Methylsilicon(IV) phthalocyanine hydroxide is available in chemical formula page of Methylsilicon(IV) phthalocyanine hydroxide, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of Methylsilicon(IV) phthalocyanine hydroxide
The molecular weight of Methylsilicon(IV) phthalocyanine hydroxide is available in molecular weight page of Methylsilicon(IV) phthalocyanine hydroxide, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.
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Other names (synonyms) or registry numbers of Methylsilicon(IV) phthalocyanine hydroxide
The Methylsilicon(IV) phthalocyanine hydroxide compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Methylsilicon(IV) phthalocyanine hydroxide including the various registry numbers, if available:
- 38-METHYL-9,18,27,36,37,39,40,41-OCTAAZA-38-SILADECACYCLO[17.17.3.1(1)?,(1)?.1(2)?,(3)?.0(2),?.0?,(3)?.0(1)(1),(1)?.0(2)?,(2)?.0(2)?,(3)?.0(2)?,(3)?]HENTETRACONTA-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-NONADECAEN-38-OL
- Methylsilicon(IV) phthalocyanine hydroxide, Dye content 95 %
- PUBCHEM_15282835
- 12119-00-5
- Methylsilicon(IV) phthalocyanine hydroxide
Methylsilicon(IV) phthalocyanine hydroxide Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of Methylsilicon(IV) phthalocyanine hydroxide? |
|---|
| C33H20N8OSi |
| How many atoms and what are the elements included the Methylsilicon(IV) phthalocyanine hydroxide molecule? |
| 63 atom(s) - 20 Hydrogen atom(s), 33 Carbon atom(s), 8 Nitrogen atom(s), and 1 Oxygen atom(s) |
| How many chemical bonds and what kind of bonds are included the Methylsilicon(IV) phthalocyanine hydroxide structure? |
| 72 bond(s) - 52 non-H bond(s), 48 multiple bond(s), 48 aromatic bond(s), 4 five-membered ring(s), 4 six-membered ring(s), 4 nine-membered ring(s), 2 ten-membered ring(s), 2 eleven-membered ring(s), 1 hydroxyl group(s), and 4 Pyrrole(s) |
| What’s the Methylsilicon(IV) phthalocyanine hydroxide’s molecular weight? |
| 572.6504 g/mol |
| What’s the SMILES code of Methylsilicon(IV) phthalocyanine hydroxide? |
| C[Si]1(O)n2c3N=C9N=C(N=c7n1c(=NC5=NC(=Nc2c4ccccc34)c6ccccc56)c8ccccc78)c%10ccccc9%10 |
| What’s the InChI string of Methylsilicon(IV) phthalocyanine hydroxide? |
| InChI=1S/C33H20N8OSi/c1-43(42)40-30-22-14-6-7-15-23(22)32(40)38-28-20-12-4-5-13-21(20)29(35-28)39-33-25-17-9-8-16-24(25)31(41(33)43)37-27-19-11-3-2-10-18(19)26(34-27)36-30/h2-17,42H,1H3/b36-26-,36-30-,37-27-,37-31-,38-28-,38-32-,39-29-,39-33- |
| What’s the InChIKey code of Methylsilicon(IV) phthalocyanine hydroxide? |
| RFJMHYRHTVTYGU-RWKGZJOPSA-N |
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).