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Molecule
1-Bromo-1,2,2-Triphenylethene
CAS: 1607-57-4 · C20H15Br
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1607-57-4
- Molecular Formula
- C20H15Br
- Molecular Mass
- 335.24 g/mol
Identifiers
CAS Registry Number
1607-57-4
SMILES
BrC(=C(c1ccccc1)c1ccccc1)c1ccccc1
InChI Key
VUQVJIUBUPPCDB-UHFFFAOYSA-N
InChI
InChI=1S/C20H15Br/c21-20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H
Names and Synonyms
- 1-Bromo-1,2,2-Triphenylethene Synonym
- Benzene, 1,1′,1′′-(1-bromo-1-ethenyl-2-ylidene)tris- Synonym
- Ethylene, bromotriphenyl- Synonym
- 1,1′,1′′-(1-Bromo-1-ethenyl-2-ylidene)tris[benzene] Synonym
- Triphenylethylene bromide Synonym
- Eitriphin Synonym
- 1,2,2-Triphenylvinyl bromide Synonym
- Bromotriphenylethylene Synonym
- Bromotriphenylethene Synonym
- Triphenylvinyl bromide Synonym
- 2-Bromo-1,1,2-triphenylethene Synonym
- Triphenylethenyl bromide Synonym
- NSC 38797 Synonym
- 1-Bromotriphenylethylene Synonym
- 1-Bromo-1,2,2-triphenylethene Synonym
- 1-Bromo-1,2,2-triphenylethylene Synonym
- Triphenylbromoethene Synonym
- 2-Bromo-1,1,2-triphenylethylene Synonym
- 1,1′,1′′-(2-Bromoethene-1,1,2-triyl)tribenzene Synonym
- (1-Bromo-2,2-diphenylethenyl)benzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 335.24 g/mol | CAS Common Chemistry |
| 335.2440000000001 g/mol | RDKit | |
| 335.244 g/mol | RDKit | |
| Canonical SMILES | BrC(C=1C=CC=CC1)=C(C=2C=CC=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C20H15Br/c21-20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H | CAS Common Chemistry |
| InChI Key | InChIKey=VUQVJIUBUPPCDB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 115 °C | CAS Common Chemistry |
| Name | 1-Bromo-1,2,2-triphenylethene | CAS Common Chemistry |
| Heavy Atom Count | 21 | 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 | 5.998100000000004 | RDKit |
| 5.9981 | RDKit | |
| Molar Refractivity | 94.16900000000003 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 334.03571258000005 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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.
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MW = 335.24 g/mol. Edit any field — others recompute live.
