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Molecule
Triphenylethylene
CAS: 58-72-0 · C20H16
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 58-72-0
- Molecular Formula
- C20H16
- Molecular Mass
- 256.35 g/mol
Identifiers
CAS Registry Number
58-72-0
SMILES
C(=C(c1ccccc1)c1ccccc1)c1ccccc1
InChI Key
MKYQPGPNVYRMHI-UHFFFAOYSA-N
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
Names and Synonyms
- Triphenylethylene Common Name
- Benzene, 1,1′,1′′-(1-ethenyl-2-ylidene)tris- Synonym
- Ethylene, triphenyl- Synonym
- 1,1′,1′′-(1-Ethenyl-2-ylidene)tris[benzene] Synonym
- Triphenylethylene Synonym
- Triphenylethene Synonym
- 1,1,2-Triphenylethylene Synonym
- Benzilidenediphenylmethane Synonym
- 1,1,2-Triphenylethene Synonym
- NSC 17535 Synonym
- Ethene-1,1,2-triyltribenzene Synonym
- 1,2-Diphenylethenylbenzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 256.35 g/mol | CAS Common Chemistry |
| 256.348 g/mol | RDKit | |
| Density | 1.07 g/cm³ | CAS Common Chemistry |
| 1.0719 g/cm3 @ 25 °C | 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 |
| 5.2755 | RDKit | |
| Molar Refractivity | 86.29900000000004 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 256.125200512 g/mol | RDKit |
| Boiling Point | 200-218 °C @ 13 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
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| 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.
External Resources
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Quick conversion
MW = 256.35 g/mol; density = 1.070 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C20H16.
