SDF/Mol File of Dimesitylbis(indenyl)silane (C36H36Si)
Identification of Dimesitylbis(indenyl)silane Chemical Compound
| Chemical Formula | C36H36Si |
|---|---|
| Molecular Weight | 496.75654 g/mol |
| IUPAC Name | bis(1H-inden-1-yl)bis(2,4,6-trimethylphenyl)silane |
| SMILES String | Cc1cc(C)c(c(C)c1)[Si](C2C=Cc3ccccc23)(C4C=Cc5ccccc45)c6c(C)cc(C)cc6C |
| InChI | InChI=1S/C36H36Si/c1-23-19-25(3)35(26(4)20-23)37(36-27(5)21-24(2)22-28(36)6,33-17-15-29-11-7-9-13-31(29)33)34-18-16-30-12-8-10-14-32(30)34/h7-22,33-34H,1-6H3 |
| InChIKey | AFZHVSZKMTTWMI-UHFFFAOYSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of dimesitylbis(indenyl)silane is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of dimesitylbis(indenyl)silane molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Dimesitylbis(indenyl)silane Molecule
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Chemical structure of dimesitylbis(indenyl)silane
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of dimesitylbis(indenyl)silane is available in chemical structure page of dimesitylbis(indenyl)silane, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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Molecular weight of dimesitylbis(indenyl)silane
The molecular weight of dimesitylbis(indenyl)silane is available in molecular weight page of dimesitylbis(indenyl)silane, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of dimesitylbis(indenyl)silane
The chemical formula of dimesitylbis(indenyl)silane is given in chemical formula page of dimesitylbis(indenyl)silane, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of dimesitylbis(indenyl)silane
An alternative way of expressing structural information in text format is InChI. The full standard InChI of dimesitylbis(indenyl)silane is:
InChI=1S/C36H36Si/c1-23-19-25(3)35(26(4)20-23)37(36-27(5)21-24(2)22-28(36)6,33-17-15-29-11-7-9-13-31(29)33)34-18-16-30-12-8-10-14-32(30)34/h7-22,33-34H,1-6H3
It can provide a standard way to encode the molecular information of dimesitylbis(indenyl)silane to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of dimesitylbis(indenyl)silane is:
InChIKey=AFZHVSZKMTTWMI-UHFFFAOYSA-N
The InChIKey may allow easier web searches for dimesitylbis(indenyl)silane, but it needs to be linked to the full InChI to get back to the original structure of the dimesitylbis(indenyl)silane since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of dimesitylbis(indenyl)silane
The dimesitylbis(indenyl)silane compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of dimesitylbis(indenyl)silane including the registry numbers are listed below, if available:
- dimesitylbis(indenyl)silane
Dimesitylbis(indenyl)silane Identification Summary Frequently Asked Questions (FAQs)
| What’s the dimesitylbis(indenyl)silane formula? |
|---|
| C36H36Si |
| How many atoms and what elements are included in the dimesitylbis(indenyl)silane molecule? |
| 73 atom(s) - 36 Hydrogen atom(s) and 36 Carbon atom(s) |
| How many chemical bonds and what kind of bonds are in the dimesitylbis(indenyl)silane structure? |
| 78 bond(s) - 42 non-H bond(s), 26 multiple bond(s), 4 rotatable bond(s), 2 double bond(s), 24 aromatic bond(s), 2 five-membered ring(s), 4 six-membered ring(s), and 2 nine-membered ring(s) |
| What’s the dimesitylbis(indenyl)silane’s molar mass? |
| 496.75654 g/mol |
| What’s the SMILES structure of dimesitylbis(indenyl)silane? |
| Cc1cc(C)c(c(C)c1)[Si](C2C=Cc3ccccc23)(C4C=Cc5ccccc45)c6c(C)cc(C)cc6C |
| What’s the InChI code of dimesitylbis(indenyl)silane? |
| InChI=1S/C36H36Si/c1-23-19-25(3)35(26(4)20-23)37(36-27(5)21-24(2)22-28(36)6,33-17-15-29-11-7-9-13-31(29)33)34-18-16-30-12-8-10-14-32(30)34/h7-22,33-34H,1-6H3 |
| What’s the InChIKey format of dimesitylbis(indenyl)silane? |
| AFZHVSZKMTTWMI-UHFFFAOYSA-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).