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1,1-Diphenylethylene
CAS: 530-48-3 | C14H12
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
530-48-3
Molecular Formula:
C14H12
Molecular Mass:
180.25 g/mol
Names and Synonyms:
1,1-Diphenylethylene
Benzene, 1,1′-ethenylidenebis-
Ethylene, 1,1-diphenyl-
1,1′-Ethenylidenebis[benzene]
1,1-Diphenylethene
unsym-Diphenylethylene
α,α-Diphenylethylene
α-Methylenediphenylmethane
α-Phenylstyrene
1,1-Diphenylethylene
NSC 57645
Ethene-1,1-diyldibenzene
1-Phenylethenylbenzene
Identifiers:
SMILES:
C=C(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C14H12/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H2
Key Properties
Boiling Point
277 °C
CAS Common Chemistry
Melting Point
8.2 °C
CAS Common Chemistry
Density
1.02 g/cm³
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 | 180.25 g/mol | CAS Common Chemistry |
| 180.24999999999997 g/mol | RDKit | |
| 180.093900384 g/mol | RDKit | |
| Density | 1.02 g/cm³ | CAS Common Chemistry |
| 1.0243 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1,1-Diphenylethylene | CAS Common Chemistry |
| Boiling Point | 277 °C | CAS Common Chemistry |
| Canonical SMILES | C=C(C=1C=CC=CC1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H12/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=ZMYIIHDQURVDRB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 8.2 °C | CAS Common Chemistry |
| Name | 1,1-Diphenylethylene | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.7481000000000018 | RDKit |
| Molar Refractivity | 61.02000000000004 | RDKit |
