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Molecule
4,4′-Diphenylstilbene
CAS: 2039-68-1 · C26H20
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2039-68-1
- Molecular Formula
- C26H20
- Molecular Mass
- 332.45 g/mol
Identifiers
CAS Registry Number
2039-68-1
SMILES
C(=Cc1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1
InChI Key
HXWQJYVUJPBQEW-UHFFFAOYSA-N
InChI
InChI=1S/C26H20/c1-3-7-23(8-4-1)25-17-13-21(14-18-25)11-12-22-15-19-26(20-16-22)24-9-5-2-6-10-24/h1-20H
Names and Synonyms
- 4,4′-Diphenylstilbene Synonym
- 1,1′-Biphenyl, 4-(2-[1,1′-biphenyl]-4-ylethenyl)- Synonym
- 1,2-Bis(4-diphenylyl)ethylene Synonym
- BBE Synonym
- DPS Synonym
- DPS (fluor) Synonym
- NSC 24862 Synonym
- Stilbene, 4,4′-diphenyl- Synonym
- 1,1′-Biphenyl, 4,4′′-(1,2-ethenediyl)bis- Synonym
- 4-(2-[1,1′-Biphenyl]-4-ylethenyl)-1,1′-biphenyl Synonym
- 1,2-Bis(p-biphenylyl)ethylene Synonym
- 1,2-Bis(4-biphenylyl)ethylene Synonym
- p,p′-Diphenylstilbene Synonym
- 4,4′-Diphenylstilbene 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 | |
| Canonical SMILES | C=1C=CC(=CC1)C=2C=CC(C=CC=3C=CC(=CC3)C=4C=CC=CC4)=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C26H20/c1-3-7-23(8-4-1)25-17-13-21(14-18-25)11-12-22-15-19-26(20-16-22)24-9-5-2-6-10-24/h1-20H | CAS Common Chemistry |
| InChI Key | InChIKey=HXWQJYVUJPBQEW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 301 °C | CAS Common Chemistry |
| Name | 4,4′-Diphenylstilbene | 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 | 7.191000000000006 | RDKit |
| 7.191 | RDKit | |
| Molar Refractivity | 112.68400000000001 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...
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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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MW = 332.45 g/mol. Edit any field — others recompute live.
