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Molecule
Triphenylsilane
CAS: 789-25-3 · C18H16Si
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 789-25-3
- Molecular Formula
- C18H16Si
- Molecular Mass
- 260.41 g/mol
Identifiers
CAS Registry Number
789-25-3
SMILES
c1ccc([SiH](c2ccccc2)c2ccccc2)cc1
InChI Key
AKQNYQDSIDKVJZ-UHFFFAOYSA-N
InChI
InChI=1S/C18H16Si/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H
Names and Synonyms
- Triphenylsilane Common Name
- Benzene, 1,1′,1′′-silylidynetris- Synonym
- Silane, triphenyl- Synonym
- 1,1′,1′′-Silylidynetris[benzene] Synonym
- Triphenylsilane Synonym
- Triphenylhydrosilane Synonym
- NSC 12565 Synonym
- SIT 8665 Synonym
- LS 6390 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 260.41 g/mol | CAS Common Chemistry |
| 260.41200000000003 g/mol | RDKit | |
| 260.412 g/mol | RDKit | |
| Canonical SMILES | C=1C=CC(=CC1)[SiH](C=2C=CC=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C18H16Si/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H | CAS Common Chemistry |
| InChI Key | InChIKey=AKQNYQDSIDKVJZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 42-44 °C | CAS Common Chemistry |
| Name | Triphenylsilane | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.9351 | RDKit |
| Molar Refractivity | 85.37700000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 260.102127042 g/mol | RDKit |
| Boiling Point | 160-165 °C @ 3 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 260.41 g/mol. Edit any field — others recompute live.
