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

C₁₆H₁₂N₂CAS 113682-56-7232.29 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₆H₁₂N₂
Molar mass: 232.29 g/mol
Exact mass: 232.1000 Da
logP: 3.81Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

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

Weigh it out

Type any one amount. The others follow from the molar mass.

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 4-Phenylpyridine939-23-169 % similar 4-(4-Bromophenyl)pyridine39795-60-367 % similar 4,4′-(1H-1,2,4-Triazole-3,5-diyl)bis[pyridine]4329-78-653 % similar 4-(4-Pyridyl)benzoic acid4385-76-650 % similar 1,2-Bis(4-pyridyl)ethane4916-57-847 % similar 2,4′-Bipyridine581-47-545 % similar 4-Methylpyridine108-89-444 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,3-Diphenylbutanedinitrile15146-07-3

Elsewhere

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