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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
Names and Synonyms:
Trans-1,2-Bis(4-Pyridyl)Ethylene
Pyridine, 4,4′-(1E)-1,2-ethenediylbis-
Pyridine, 4,4′-vinylenedi-, (E)-
Pyridine, 4,4′-(1,2-ethenediyl)bis-, (E)-
4,4′-(1E)-1,2-Ethenediylbis[pyridine]
trans-4,4′-Dipyridylethylene
trans-1,2-Bis(4-pyridyl)ethylene
trans-1,2-Bis(4-pyridyl)ethene
1,2-trans-Bis(4-pyridyl)ethene
1,2-trans-(4-Pyridyl)ethene
(E)-1,2-Bis(4-pyridyl)ethene
trans-1,2-Di(4-pyridyl)ethylene
(E)-4,4′-Vinylenedipyridine
trans-1,2-Bis(4-pyridinyl)ethene
(E)-1,2-Bis(4-pyridyl)ethylene
trans-1,2-Di-4-pyridylethene
trans-Bis(4-pyridyl)ethylene
1,2-trans-Bis(4-pyridyl)ethylene
(E)-1,2-Bis(4-pyridinyl)ethene
SERS 440
(E)-4,4′-Diazastilbene
(E)-1,2-Di-4-pyridylethene
trans-1,2-(4-Pyridyl)ethene
(E)-4-(2-Pyridine-4-ethyl)pyridine
Identifiers:
SMILES:
C(=C/c1ccncc1)c1ccncc1
InChI:
InChI=1S/C12H10N2/c1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12/h1-10H/b2-1+
Key Properties
Melting Point
149-150 °C @ Solvent: Benzene
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 | 182.23 g/mol | CAS Common Chemistry |
| 182.226 g/mol | RDKit | |
| 182.08439832 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 |
| LogP | 2.647000000000001 | RDKit |
| Molar Refractivity | 57.40200000000003 | RDKit |
