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Molecule
(Z)-Stilbene
CAS: 645-49-8 · C14H12
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 645-49-8
- Molecular Formula
- C14H12
- Molecular Mass
- 180.25 g/mol
Identifiers
CAS Registry Number
645-49-8
SMILES
C(=Cc1ccccc1)c1ccccc1
InChI Key
PJANXHGTPQOBST-QXMHVHEDSA-N
InChI
InChI=1S/C14H12/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-12H/b12-11-
Names and Synonyms
- (Z)-Stilbene Synonym
- Benzene, 1,1′-(1Z)-1,2-ethenediylbis- Synonym
- Stilbene, (Z)- Synonym
- Benzene, 1,1′-(1,2-ethenediyl)bis-, (Z)- Synonym
- Stilbene, cis- Synonym
- 1,1′-(1Z)-1,2-Ethenediylbis[benzene] Synonym
- cis-1,2-Diphenylethylene Synonym
- Isostilbene Synonym
- cis-Stilbene Synonym
- cis-Diphenylethene Synonym
- cis-1,2-Diphenylethene Synonym
- (Z)-1,2-Diphenylethene Synonym
- (Z)-1,2-Diphenylethylene Synonym
- (Z)-Stilbene Synonym
- (Z)-1,2-Diphenylethene Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 180.25 g/mol | CAS Common Chemistry |
| 180.24999999999997 g/mol | RDKit | |
| Density | 1.01 g/cm³ | CAS Common Chemistry |
| 1.014 g/cm3 @ 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 |
| 3.857 | RDKit | |
| Molar Refractivity | 61.81200000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 180.093900384 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 180.25 g/mol; density = 1.010 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C14H12.
