chempirical

4-Cyano-4'-pentylbiphenyl

C18H19NCAS 40817-08-1249.36 g/mol

Open in Covalent MOL file
N
Nitrile

Properties

Molecular formula
C18H19N
Molar mass
249.36 g/mol
Exact mass
249.1517 Da
Density
1.01 g/mL
Melting point
24 °C
Boiling point
178–182 °C (at 2 Torr)
logP
4.96Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
5

Identifiers

CAS number
40817-08-1
SMILES
CCCCCc1ccc(-c2ccc(C#N)cc2)cc1
InChIKey
HHPCNRKYVYWYAU-UHFFFAOYSA-N
InChI
InChI=1S/C18H19N/c1-2-3-4-5-15-6-10-17(11-7-15)18-12-8-16(14-19)9-13-18/h6-13H,2-5H2,1H3

Weigh it out

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

Names and synonyms

40 names · show all
  • [1,1′-Biphenyl]-4-carbonitrile, 4′-pentyl-
  • 4′-Pentyl[1,1′-biphenyl]-4-carbonitrile
  • 4′-n-Pentyl-4-biphenylcarbonitrile
  • 4-Cyano-4′-pentylbiphenyl
  • Pentyl cyanobiphenyl
  • p′-Cyano-p-pentylbiphenyl
  • 4′-n-Pentyl-4-cyanobiphenyl
  • 4,4′-n-Pentylcyanobiphenyl
  • 4′-Pentyl-4-biphenylcarbonitrile
  • 4′-Amyl-4-cyanobiphenyl
  • 4-Pentyl-4′-cyanobiphenyl
  • p-Pentyl-p′-cyanobiphenyl
  • 4-Cyano-4′-n-pentylbiphenyl
  • 4-Amyl-4′-cyanobiphenyl
  • 5CB
  • p-n-Amylbenzylidene-p′-cyanoaniline
  • p-Cyano-p′-pentylbiphenyl
  • 4-n-Pentyl-4′-cyanobiphenyl
  • 4-n-Amyl-4′-cyanobiphenyl
  • p-n-Pentyl-p′-cyanobiphenyl
  • p-Amyl-p′-cyanobiphenyl
  • CPB
  • CB 5
  • K 15 (Liquid crystal)
  • K 15
  • 5BF
  • 4′-Cyano-4-pentylbiphenyl
  • PCB (liquid crystal)
  • 4-Cyano-4′-pentyl-1,1′-biphenyl
  • 4-Cyano-4′-pentyldiphenyl
  • 4-Cyano-4′-n-pentyldiphenyl
  • BDH-K 15
  • 5TsB
  • LC 5CB
  • CB 5 (liquid crystal)
  • 4′-Pentyl-4-cyanobiphenyl
  • 4-Cyano-4′-n-pentyl-1,1′-biphenyl
  • C 1550
  • 5-BB-C
  • 5CB (liquid crystal)

Work with 4-Cyano-4'-pentylbiphenyl

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′′-Pentyl-4-cyano-P-terphenyl54211-46-0100 % similar 6Cb41122-70-796 % similar 4′-Heptyl-4-cyanobiphenyl41122-71-896 % similar 8Cb52709-84-996 % similar 4′-Butyl-4-cyanobiphenyl52709-83-889 % similar 3Cb58743-76-379 % similar 4-Butylbenzonitrile20651-73-479 % similar 4-Ethyl-4′-cyanobiphenyl58743-75-265 % similar

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

Elsewhere

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