[1,1′-Biphenyl]-4,4′-dicarbonitrile

C₁₄H₈N₂CAS 1591-30-6204.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₈N₂
Molar mass: 204.23 g/mol
Exact mass: 204.0687 Da
Melting point: 232–234 °C
logP: 3.10Crippen estimate
Polar surface area: 47.6 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

1591-30-6

SMILES

N#Cc1ccc(-c2ccc(C#N)cc2)cc1

InChIKey

KAXYYLCSSXFXKR-UHFFFAOYSA-N

InChI

InChI=1S/C14H8N2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1-8H

Weigh it out

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

Names and synonyms

5 names

4,4′-Biphenyldicarbonitrile
4,4′-Dicyanobiphenyl
4,4′-Dicyanodiphenyl
NSC 87879
4,4′-Dicyano-1,1′-biphenyl

Work with [1,1′-Biphenyl]-4,4′-dicarbonitrile

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

Elsewhere

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