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Molecule
Trans-1,2-Bis(4-Pyridyl)Ethylene
CAS: 13362-78-2 · C12H10N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 13362-78-2
- Molecular Formula
- C12H10N2
- Molecular Mass
- 182.23 g/mol
Identifiers
CAS Registry Number
13362-78-2
SMILES
C(=C/c1ccncc1)c1ccncc1
InChI Key
MGFJDEHFNMWYBD-OWOJBTEDSA-N
InChI
InChI=1S/C12H10N2/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12/h1-10H/b2-1+
Names and Synonyms
- Trans-1,2-Bis(4-Pyridyl)Ethylene Synonym
- Pyridine, 4,4′-(1E)-1,2-ethenediylbis- Synonym
- Pyridine, 4,4′-vinylenedi-, (E)- Synonym
- Pyridine, 4,4′-(1,2-ethenediyl)bis-, (E)- Synonym
- 4,4′-(1E)-1,2-Ethenediylbis[pyridine] Synonym
- trans-4,4′-Dipyridylethylene Synonym
- trans-1,2-Bis(4-pyridyl)ethylene Synonym
- trans-1,2-Bis(4-pyridyl)ethene Synonym
- 1,2-trans-Bis(4-pyridyl)ethene Synonym
- 1,2-trans-(4-Pyridyl)ethene Synonym
- (E)-1,2-Bis(4-pyridyl)ethene Synonym
- trans-1,2-Di(4-pyridyl)ethylene Synonym
- (E)-4,4′-Vinylenedipyridine Synonym
- trans-1,2-Bis(4-pyridinyl)ethene Synonym
- (E)-1,2-Bis(4-pyridyl)ethylene Synonym
- trans-1,2-Di-4-pyridylethene Synonym
- trans-Bis(4-pyridyl)ethylene Synonym
- 1,2-trans-Bis(4-pyridyl)ethylene Synonym
- (E)-1,2-Bis(4-pyridinyl)ethene Synonym
- SERS 440 Synonym
- (E)-4,4′-Diazastilbene Synonym
- (E)-1,2-Di-4-pyridylethene Synonym
- trans-1,2-(4-Pyridyl)ethene Synonym
- (E)-4-(2-Pyridine-4-ethyl)pyridine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 182.23 g/mol | CAS Common Chemistry |
| 182.226 g/mol | RDKit | |
| Canonical SMILES | N=1C=CC(=CC1)C=CC=2C=CN=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H10N2/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12/h1-10H/b2-1+ | CAS Common Chemistry |
| InChI Key | InChIKey=MGFJDEHFNMWYBD-OWOJBTEDSA-N | CAS Common Chemistry |
| Melting Point | 149-150 °C @ Solvent: Benzene | CAS Common Chemistry |
| Name | trans-1,2-Bis(4-pyridyl)ethylene | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 25.78 Ų | RDKit |
| 24.72 Ų | chempirical lib | |
| LogP | 2.647000000000001 | RDKit |
| 2.647 | RDKit | |
| Molar Refractivity | 57.40200000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 182.08439832 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
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100
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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.
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MW = 182.23 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C12H10N2.
