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Triphenylethylene
CAS: 58-72-0 | C20H16
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
58-72-0
Molecular Formula:
C20H16
Molecular Mass:
256.35 g/mol
Names and Synonyms:
Triphenylethylene
Benzene, 1,1′,1′′-(1-ethenyl-2-ylidene)tris-
Ethylene, triphenyl-
1,1′,1′′-(1-Ethenyl-2-ylidene)tris[benzene]
Triphenylethylene
Triphenylethene
1,1,2-Triphenylethylene
Benzilidenediphenylmethane
1,1,2-Triphenylethene
NSC 17535
Ethene-1,1,2-triyltribenzene
1,2-Diphenylethenylbenzene
Identifiers:
SMILES:
C(=C(c1ccccc1)c1ccccc1)c1ccccc1
InChI:
InChI=1S/C20H16/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H
Key Properties
Boiling Point
200-218 °C @ Press: 13 Torr
CAS Common Chemistry
Melting Point
72.5 °C
CAS Common Chemistry
Density
1.07 g/cm³
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 | 256.35 g/mol | CAS Common Chemistry |
| 256.348 g/mol | RDKit | |
| 256.125200512 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.0719 g/cm3 @ Temp: 25 °C | CAS Common Chemistry | |
| Boiling Point | 200-218 °C @ Press: 13 Torr | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)C=C(C=2C=CC=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C20H16/c1-4-10-17(11-5-1)16-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H | CAS Common Chemistry |
| InChI Key | InChIKey=MKYQPGPNVYRMHI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 72.5 °C | CAS Common Chemistry |
| Name | Triphenylethylene | CAS Common Chemistry |
| Heavy Atom Count | 20 | 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 | 5.2755000000000045 | RDKit |
| Molar Refractivity | 86.29900000000004 | RDKit |
