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1-Bromo-1,2,2-Triphenylethene
CAS: 1607-57-4 | C20H15Br
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1607-57-4
Molecular Formula:
C20H15Br
Molecular Mass:
335.24 g/mol
Names and Synonyms:
1-Bromo-1,2,2-Triphenylethene
Benzene, 1,1′,1′′-(1-bromo-1-ethenyl-2-ylidene)tris-
Ethylene, bromotriphenyl-
1,1′,1′′-(1-Bromo-1-ethenyl-2-ylidene)tris[benzene]
Triphenylethylene bromide
Eitriphin
1,2,2-Triphenylvinyl bromide
Bromotriphenylethylene
Bromotriphenylethene
Triphenylvinyl bromide
2-Bromo-1,1,2-triphenylethene
Triphenylethenyl bromide
NSC 38797
1-Bromotriphenylethylene
1-Bromo-1,2,2-triphenylethene
1-Bromo-1,2,2-triphenylethylene
Triphenylbromoethene
2-Bromo-1,1,2-triphenylethylene
1,1′,1′′-(2-Bromoethene-1,1,2-triyl)tribenzene
(1-Bromo-2,2-diphenylethenyl)benzene
Identifiers:
SMILES:
BrC(=C(c1ccccc1)c1ccccc1)c1ccccc1
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
Key Properties
Melting Point
115 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 335.24 g/mol | CAS Common Chemistry |
| 335.2440000000001 g/mol | RDKit | |
| 334.03571258000005 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 |
| Molar Refractivity | 94.16900000000003 | RDKit |
