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Molecule
Tetraphenylethylene
CAS: 632-51-9 · C26H20
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 632-51-9
- Molecular Formula
- C26H20
- Molecular Mass
- 332.45 g/mol
Identifiers
CAS Registry Number
632-51-9
SMILES
c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChI Key
JLZUZNKTTIRERF-UHFFFAOYSA-N
InChI
InChI=1S/C26H20/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
Names and Synonyms
- Tetraphenylethylene Common Name
- Benzene, 1,1′,1′′,1′′′-(1,2-ethenediylidene)tetrakis- Synonym
- Ethylene, tetraphenyl- Synonym
- 1,1′,1′′,1′′′-(1,2-Ethenediylidene)tetrakis[benzene] Synonym
- Tetraphenylethylene Synonym
- 1,1,2,2-Tetraphenylethylene Synonym
- Tetraphenylethene Synonym
- α,β-Diphenylstilbene Synonym
- 1,1,2,2-Tetraphenylethene Synonym
- NSC 40472 Synonym
- NSC 52243 Synonym
- 1,2,2-Triphenylethenylbenzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 332.45 g/mol | CAS Common Chemistry |
| 332.446 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tetraphenylethylene | CAS Common Chemistry |
| Boiling Point | 420 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)C(C=2C=CC=CC2)=C(C=3C=CC=CC3)C=4C=CC=CC4 | CAS Common Chemistry |
| InChI | InChI=1S/C26H20/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22)26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H | CAS Common Chemistry |
| InChI Key | InChIKey=JLZUZNKTTIRERF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 225 °C | CAS Common Chemistry |
| Name | Tetraphenylethylene | CAS Common Chemistry |
| Heavy Atom Count | 26 | 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 | 6.694000000000006 | RDKit |
| 6.694 | RDKit | |
| Molar Refractivity | 110.78600000000002 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 332.15650064 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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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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MW = 332.45 g/mol. Edit any field — others recompute live.
