4-Ethyl-4′-cyanobiphenyl

C₁₅H₁₃NCAS 58743-75-2207.28 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₁₃N
Molar mass: 207.28 g/mol
Exact mass: 207.1048 Da
logP: 3.79Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Identifiers

CAS number

58743-75-2

SMILES

CCc1ccc(-c2ccc(C#N)cc2)cc1

InChIKey

DLLIPJSMDJCZRF-UHFFFAOYSA-N

InChI

InChI=1S/C15H13N/c1-2-12-3-7-14(8-4-12)15-9-5-13(11-16)6-10-15/h3-10H,2H2,1H3

Weigh it out

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

Names and synonyms

8 names

[1,1′-Biphenyl]-4-carbonitrile, 4′-ethyl-
4′-Ethyl[1,1′-biphenyl]-4-carbonitrile
CB 2 (nematogen)
4-Cyano-4′-ethylbiphenyl
CB 2
2CB
2-BB-C
4′-Ethylbiphenyl-4-carbonitrile

Work with 4-Ethyl-4′-cyanobiphenyl

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-Ethylbenzonitrile25309-65-388 % similar 3Cb58743-76-369 % similar 4′-Butyl-4-cyanobiphenyl52709-83-867 % similar 4-Cyano-4'-pentylbiphenyl40817-08-165 % similar 4′′-Pentyl-4-cyano-P-terphenyl54211-46-065 % similar [1,1′-Biphenyl]-4,4′-dicarbonitrile1591-30-663 % similar 6Cb41122-70-763 % similar 4′-Heptyl-4-cyanobiphenyl41122-71-863 % similar

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

Same formula

4-Benzylphenylacetonitrile101096-72-4 β-Phenylbenzenepropanenitrile2286-54-6 1-Benzylindole3377-71-7 1-Methyl-2-phenylindole3558-24-5 α-Methyl-α-phenylbenzeneacetonitrile5558-67-8

Elsewhere

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