1,4-Bis(pyrid-4-yl)benzene

C16H12N2CAS 113682-56-7232.29 g/mol

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Properties

Molecular formula
C16H12N2
Molar mass
232.29 g/mol
Exact mass
232.1000 Da
logP
3.81Crippen estimate
Polar surface area
25.8 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
113682-56-7
SMILES
C1=CC(=CC=C1C2=CC=NC=C2)C3=CC=NC=C3
InChIKey
MAWKLXRVKVOYLR-UHFFFAOYSA-N
InChI
InChI=1S/C16H12N2/c1-2-14(16-7-11-18-12-8-16)4-3-13(1)15-5-9-17-10-6-15/h1-12H

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Names and synonyms

1 names
  • 4,4'-(1,4-Phenylene)dipyridine

Work with 1,4-Bis(pyrid-4-yl)benzene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4,4′-Bipyridine553-26-492 % similar 1,3,5-Tris(4-pyridyl)benzene170165-84-173 % similar 4-Phenylpyridine939-23-169 % similar 4-(4-Bromophenyl)pyridine39795-60-367 % similar 2,4,6-Tris(4-pyridyl)-1,3,5-triazine42333-78-859 % similar 3,6-Di-4-pyridyl-1,2,4,5-tetrazine57654-36-159 % similar 4-(4-Pyridinyl)benzaldehyde99163-12-957 % similar 4,4'-(1H-1,2,4-Triazole-3,5-diyl)bis(pyridine)4329-78-653 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3-Diphenylbutanedinitrile15146-07-3 2-Phenylindole-3-acetonitrile27005-52-3

Elsewhere

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