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Molecule
1,1′,1′′,1′′′-Silanetetrayltetrakis[Benzene]
CAS: 1048-08-4 · C24H20Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1048-08-4
- Molecular Formula
- C24H20Si
- Molecular Mass
- 336.51 g/mol
Identifiers
CAS Registry Number
1048-08-4
SMILES
c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChI Key
JLAVCPKULITDHO-UHFFFAOYSA-N
InChI
InChI=1S/C24H20Si/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
Names and Synonyms
- 1,1′,1′′,1′′′-Silanetetrayltetrakis[Benzene] Systematic Name
- Benzene, 1,1′,1′′,1′′′-silanetetrayltetrakis- Synonym
- Silane, tetraphenyl- Synonym
- 1,1′,1′′,1′′′-Silanetetrayltetrakis[benzene] Synonym
- Tetraphenylsilane Synonym
- Tetraphenylsilicon Synonym
- NSC 33014 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 336.51 g/mol | CAS Common Chemistry |
| 336.51000000000005 g/mol | RDKit | |
| Density | 1.08 g/cm³ | CAS Common Chemistry |
| 1.078 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | C=1C=CC(=CC1)[Si](C=2C=CC=CC2)(C=3C=CC=CC3)C=4C=CC=CC4 | CAS Common Chemistry |
| InChI | InChI=1S/C24H20Si/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H | CAS Common Chemistry |
| InChI Key | InChIKey=JLAVCPKULITDHO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 236.5 °C | CAS Common Chemistry |
| Name | 1,1′,1′′,1′′′-Silanetetrayltetrakis[benzene] | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.064000000000002 | RDKit |
| 3.064 | RDKit | |
| Molar Refractivity | 110.05800000000002 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 336.13342717 g/mol | RDKit |
| Boiling Point | 228 °C @ 3 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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 = 336.51 g/mol; density = 1.080 g/mL. Edit any field — others recompute live.
