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4,4′-Diethenyl-1,1′-Biphenyl
CAS: 4433-13-0 | C16H14
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4433-13-0
Molecular Formula:
C16H14
Molecular Mass:
206.29 g/mol
Names and Synonyms:
4,4′-Diethenyl-1,1′-Biphenyl
1,1′-Biphenyl, 4,4′-diethenyl-
Biphenyl, 4,4′-divinyl-
4,4′-Diethenyl-1,1′-biphenyl
4,4′-Divinylbiphenyl
4,4′-Divinyl-1,1′-biphenyl
1-Ethenyl-4-(4-ethenylphenyl)benzene
Identifiers:
SMILES:
C=Cc1ccc(-c2ccc(C=C)cc2)cc1
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
Key Properties
Melting Point
153 °C @ Solvent: Water, Ethanol
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 | 206.29 g/mol | CAS Common Chemistry |
| 206.28799999999998 g/mol | RDKit | |
| 206.109550448 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 |
| Molar Refractivity | 72.06000000000003 | RDKit |
