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Molecule
1,2-Dimethyl-1,1,2,2-Tetraphenyldisilane
CAS: 1172-76-5 · C26H26Si2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1172-76-5
- Molecular Formula
- C26H26Si2
- Molecular Mass
- 394.67 g/mol
Identifiers
CAS Registry Number
1172-76-5
SMILES
C[Si](c1ccccc1)(c1ccccc1)[Si](C)(c1ccccc1)c1ccccc1
InChI Key
JNZRJYXUMDPPRK-UHFFFAOYSA-N
InChI
InChI=1S/C26H26Si2/c1-27(23-15-7-3-8-16-23,24-17-9-4-10-18-24)28(2,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22H,1-2H3
Names and Synonyms
- 1,2-Dimethyl-1,1,2,2-Tetraphenyldisilane Systematic Name
- Disilane, 1,2-dimethyl-1,1,2,2-tetraphenyl- Synonym
- 1,2-Dimethyl-1,1,2,2-tetraphenyldisilane Synonym
- 1,2-Dimethyltetraphenyldisilane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 394.67 g/mol | CAS Common Chemistry |
| 394.66600000000005 g/mol | RDKit | |
| 394.666 g/mol | RDKit | |
| Canonical SMILES | C=1C=CC(=CC1)[Si](C=2C=CC=CC2)(C)[Si](C=3C=CC=CC3)(C=4C=CC=CC4)C | CAS Common Chemistry |
| InChI | InChI=1S/C26H26Si2/c1-27(23-15-7-3-8-16-23,24-17-9-4-10-18-24)28(2,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=JNZRJYXUMDPPRK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 142-144 °C | CAS Common Chemistry |
| Name | 1,2-Dimethyl-1,1,2,2-tetraphenyldisilane | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.850800000000003 | RDKit |
| 3.8508 | RDKit | |
| Molar Refractivity | 127.54 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0769 | RDKit |
| 0.08 | chempirical lib | |
| Exact Mass | 394.157303892 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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.
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MW = 394.67 g/mol. Edit any field — others recompute live.
