4′-Heptyl-4-cyanobiphenyl

C₂₀H₂₃NCAS 41122-71-8277.41 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₀H₂₃N
Molar mass: 277.41 g/mol
Exact mass: 277.1830 Da
Melting point: 30 °C
Boiling point: 196–199 °C (at 2 Torr)
logP: 5.74Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 7

Identifiers

CAS number

41122-71-8

SMILES

CCCCCCCc1ccc(-c2ccc(C#N)cc2)cc1

InChIKey

ZGOWXOZNUNZPAV-UHFFFAOYSA-N

InChI

InChI=1S/C20H23N/c1-2-3-4-5-6-7-17-8-12-19(13-9-17)20-14-10-18(16-21)11-15-20/h8-15H,2-7H2,1H3

Weigh it out

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

Names and synonyms

19 names · show all

[1,1′-Biphenyl]-4-carbonitrile, 4′-heptyl-
4′-Heptyl[1,1′-biphenyl]-4-carbonitrile
4-Cyano-4′-heptylbiphenyl
4′-Heptyl-4-biphenylcarbonitrile
4-Heptyl-4′-cyanobiphenyl
p-Cyano-p′-heptylbiphenyl
p-Heptyl-p′-cyanobiphenyl
p-n-Heptyl-p′-cyanobiphenyl
4′-n-Heptyl-4-cyanobiphenyl
p,p′-n-Heptylcyanobiphenyl
CB 7 (liquid crystal)
CB 7
4-Cyano-4′-n-heptylbiphenyl
7CB
K 21 (Liquid crystal)
K 21
4-Cyano-4′-heptyl-1,1′-biphenyl
4-n-Heptyl-4′-cyanobiphenyl
4-Cyano-4′-n-heptyl-1,1′-biphenyl

Work with 4′-Heptyl-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

6Cb41122-70-7100 % similar 8Cb52709-84-9100 % similar 4-Cyano-4'-pentylbiphenyl40817-08-196 % similar 4′′-Pentyl-4-cyano-P-terphenyl54211-46-096 % similar 4′-Butyl-4-cyanobiphenyl52709-83-886 % similar 3Cb58743-76-377 % similar 4-Butylbenzonitrile20651-73-476 % similar 4′-(Hexyloxy)[1,1′-biphenyl]-4-carbonitrile41424-11-765 % similar

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

Same formula

Maprotiline10262-69-8 Amitriptyline50-48-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook