Structure & Deep Data of Clar Goblet (C38H18)
Identification of Clar Goblet Chemical Compound
| Chemical Formula | C38H18 |
|---|---|
| Molecular Weight | 474.54952 g/mol |
| IUPAC Name | undecacyclo[17.15.1.1^{2,6}.1^{4,12}.1^{25,29}.0^{3,18}.0^{5,10}.0^{21,26}.0^{27,35}.0^{28,33}.0^{16,37}]octatriaconta-1(34),2(38),4,6,8,10,12(37),13,15,17,19,21,23,25,27,29(36),30,32-octadecaen-3-ylium-35-ide |
| SMILES String | C1=C6[C-]3C(=Cc4cccc5cc2cccc1c2c3c45)C7=Cc%10cccc%11cc8cccc9C=C6[CH+]7c(c89)c%10%11 |
| InChI | InChI=1S/C38H18/c1-5-19-13-20-6-2-10-24-17-29-30-18-26-12-4-8-22-14-21-7-3-11-25-16-28(36(30)38(33(21)25)34(22)26)27-15-23(9-1)31(19)37(32(20)24)35(27)29/h1-18H |
| InChIKey | IQSWLUPJXFHUKA-UHFFFAOYSA-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 Clar Goblet molecule contains a total of 66 bond(s). There are 48 non-H bond(s), 48 multiple bond(s), 48 aromatic bond(s), 11 six-membered ring(s), 18 ten-membered ring(s), and 8 twelve-membered ring(s). Images of the chemical structure of Clar Goblet are given below:
The 2D chemical structure image of Clar Goblet is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Clar Goblet 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 Clar Goblet 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 Clar Goblet. 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 Clar Goblet is provided here.
The Clar Goblet 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 Clar Goblet 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 Clar Goblet 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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- CAS #: 64-17-5
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Deep Data Application Examples
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Additional Information for Identifying Clar Goblet Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of Clar Goblet
The SMILES string of Clar Goblet is C1=C6[C-]3C(=Cc4cccc5cc2cccc1c2c3c45)C7=Cc%10cccc%11cc8cccc9C=C6[CH+]7c(c89)c%10%11, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the Clar Goblet.
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Structure Data File (SDF/MOL File) of Clar Goblet
The structure data file (SDF/MOL File) of Clar Goblet is available for download in the SDF page of Clar Goblet, which provides the information about the atoms, bonds, connectivity and coordinates of Clar Goblet. The Clar Goblet structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of Clar Goblet
The molecular formula of Clar Goblet is available in chemical formula page of Clar Goblet, 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 Clar Goblet
The molecular weight of Clar Goblet is available in molecular weight page of Clar Goblet, 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 Clar Goblet
The Clar Goblet compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of Clar Goblet including the various registry numbers, if available:
- Clar Goblet
Clar Goblet Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of Clar Goblet? |
|---|
| C38H18 |
| How many atoms and what are the elements included the Clar Goblet molecule? |
| 56 atom(s) - 18 Hydrogen atom(s) and 38 Carbon atom(s) |
| How many chemical bonds and what kind of bonds are included the Clar Goblet structure? |
| 66 bond(s) - 48 non-H bond(s), 48 multiple bond(s), 48 aromatic bond(s), 11 six-membered ring(s), 18 ten-membered ring(s), and 8 twelve-membered ring(s) |
| What’s the Clar Goblet’s molecular weight? |
| 474.54952 g/mol |
| What’s the SMILES code of Clar Goblet? |
| C1=C6[C-]3C(=Cc4cccc5cc2cccc1c2c3c45)C7=Cc%10cccc%11cc8cccc9C=C6[CH+]7c(c89)c%10%11 |
| What’s the InChI string of Clar Goblet? |
| InChI=1S/C38H18/c1-5-19-13-20-6-2-10-24-17-29-30-18-26-12-4-8-22-14-21-7-3-11-25-16-28(36(30)38(33(21)25)34(22)26)27-15-23(9-1)31(19)37(32(20)24)35(27)29/h1-18H |
| What’s the InChIKey code of Clar Goblet? |
| IQSWLUPJXFHUKA-UHFFFAOYSA-N |
2011
The contents of this page can freely be shared if cited as follows:
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).