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Molecule
1,1,1,2,2,2-Hexaphenyldisilane
CAS: 1450-23-3 · C36H30Si2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1450-23-3
- Molecular Formula
- C36H30Si2
- Molecular Mass
- 518.81 g/mol
Identifiers
CAS Registry Number
1450-23-3
SMILES
c1ccc([Si](c2ccccc2)(c2ccccc2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChI Key
ZMHATUZXFSOVSC-UHFFFAOYSA-N
InChI
InChI=1S/C36H30Si2/c1-7-19-31(20-8-1)37(32-21-9-2-10-22-32,33-23-11-3-12-24-33)38(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H
Names and Synonyms
- 1,1,1,2,2,2-Hexaphenyldisilane Systematic Name
- Disilane, 1,1,1,2,2,2-hexaphenyl- Synonym
- Disilane, hexaphenyl- Synonym
- 1,1,1,2,2,2-Hexaphenyldisilane Synonym
- Hexaphenyldisilane Synonym
- NSC 215174 Synonym
- NSC 43100 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 518.81 g/mol | CAS Common Chemistry |
| 518.8080000000002 g/mol | RDKit | |
| 518.808 g/mol | RDKit | |
| Canonical SMILES | C=1C=CC(=CC1)[Si](C=2C=CC=CC2)(C=3C=CC=CC3)[Si](C=4C=CC=CC4)(C=5C=CC=CC5)C=6C=CC=CC6 | CAS Common Chemistry |
| InChI | InChI=1S/C36H30Si2/c1-7-19-31(20-8-1)37(32-21-9-2-10-22-32,33-23-11-3-12-24-33)38(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H | CAS Common Chemistry |
| InChI Key | InChIKey=ZMHATUZXFSOVSC-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 360-362 °C | CAS Common Chemistry |
| Name | 1,1,1,2,2,2-Hexaphenyldisilane | CAS Common Chemistry |
| Heavy Atom Count | 38 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 6 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.405600000000004 | RDKit |
| 4.4056 | RDKit | |
| Molar Refractivity | 167.96399999999954 cm³/mol | RDKit |
| Ring Count | 6 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 518.1886040200001 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
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 = 518.81 g/mol. Edit any field — others recompute live.
