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(Z)-Stilbene
CAS: 645-49-8 | C14H12
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
645-49-8
Molecular Formula:
C14H12
Molecular Mass:
180.25 g/mol
Names and Synonyms:
(Z)-Stilbene
Benzene, 1,1′-(1Z)-1,2-ethenediylbis-
Stilbene, (Z)-
Benzene, 1,1′-(1,2-ethenediyl)bis-, (Z)-
Stilbene, cis-
1,1′-(1Z)-1,2-Ethenediylbis[benzene]
cis-1,2-Diphenylethylene
Isostilbene
cis-Stilbene
cis-Diphenylethene
cis-1,2-Diphenylethene
(Z)-1,2-Diphenylethene
(Z)-1,2-Diphenylethylene
(Z)-Stilbene
(Z)-1,2-Diphenylethene
Identifiers:
SMILES:
C(=Cc1ccccc1)c1ccccc1
InChI:
InChI=1S/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H/b12-11-
Key Properties
Boiling Point
141 °C
CAS Common Chemistry
Melting Point
1 °C
CAS Common Chemistry
Density
1.01 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 | 1.01 g/cm³ | CAS Common Chemistry |
| 1.014 g/cm3 @ Temp: 24 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/(Z)-Stilbene | CAS Common Chemistry |
| Boiling Point | 141 °C | CAS Common Chemistry |
| Canonical SMILES | C=1C=CC(=CC1)C=CC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H/b12-11- | CAS Common Chemistry |
| InChI Key | InChIKey=PJANXHGTPQOBST-QXMHVHEDSA-N | CAS Common Chemistry |
| Melting Point | 1 °C | CAS Common Chemistry |
| Name | cis-Stilbene | CAS Common Chemistry |
| (Z)-Stilbene | 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 | 3.857000000000003 | RDKit |
| Molar Refractivity | 61.81200000000003 | RDKit |
