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Molecule
4,4′-Diethenyl-1,1′-Biphenyl
CAS: 4433-13-0 · C16H14
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4433-13-0
- Molecular Formula
- C16H14
- Molecular Mass
- 206.29 g/mol
Identifiers
CAS Registry Number
4433-13-0
SMILES
C=Cc1ccc(-c2ccc(C=C)cc2)cc1
InChI Key
IYSVFZBXZVPIFA-UHFFFAOYSA-N
InChI
InChI=1S/C16H14/c1-3-13-5-9-15(10-6-13)16-11-7-14(4-2)8-12-16/h3-12H,1-2H2
Names and Synonyms
- 4,4′-Diethenyl-1,1′-Biphenyl Systematic Name
- 1,1′-Biphenyl, 4,4′-diethenyl- Synonym
- Biphenyl, 4,4′-divinyl- Synonym
- 4,4′-Diethenyl-1,1′-biphenyl Synonym
- 4,4′-Divinylbiphenyl Synonym
- 4,4′-Divinyl-1,1′-biphenyl Synonym
- 1-Ethenyl-4-(4-ethenylphenyl)benzene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 206.29 g/mol | CAS Common Chemistry |
| 206.28799999999998 g/mol | RDKit | |
| 206.288 g/mol | RDKit | |
| Canonical SMILES | C=CC=1C=CC(=CC1)C2=CC=C(C=C)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C16H14/c1-3-13-5-9-15(10-6-13)16-11-7-14(4-2)8-12-16/h3-12H,1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=IYSVFZBXZVPIFA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 153 °C @ Solvent: Water, Ethanol | CAS Common Chemistry |
| Name | 4,4′-Diethenyl-1,1′-biphenyl | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.639600000000003 | RDKit |
| 4.6396 | RDKit | |
| Molar Refractivity | 72.06000000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 206.109550448 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.
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MW = 206.29 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C16H14.
