chempirical

8Cb

C21H25NCAS 52709-84-9291.44 g/mol

Open in Covalent MOL file
N
Nitrile

Properties

Molecular formula
C21H25N
Molar mass
291.44 g/mol
Exact mass
291.1987 Da
Boiling point
215–218 °C (at 2 Torr)
logP
6.13Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
8

Identifiers

CAS number
52709-84-9
SMILES
CCCCCCCCc1ccc(-c2ccc(C#N)cc2)cc1
InChIKey
CSQPODPWWMOTIY-UHFFFAOYSA-N
InChI
InChI=1S/C21H25N/c1-2-3-4-5-6-7-8-18-9-13-20(14-10-18)21-15-11-19(17-22)12-16-21/h9-16H,2-8H2,1H3

Weigh it out

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

Names and synonyms

22 names · show all
  • [1,1′-Biphenyl]-4-carbonitrile, 4′-octyl-
  • 4′-Octyl[1,1′-biphenyl]-4-carbonitrile
  • 4-Cyano-4′-octyl-1,1′-biphenyl
  • 4-Cyano-4′-octylbiphenyl
  • p-Cyano-p′-octylbiphenyl
  • 4′-n-Octyl-4-cyanobiphenyl
  • 4′-Octyl-4-biphenylcarbonitrile
  • 4-Octyl-4′-cyanobiphenyl
  • 4-Cyano-4′-n-octylbiphenyl
  • 4′-Octyl-4-cyanobiphenyl
  • 4-n-Octyl-4′-cyanobiphenyl
  • p-Octyl-p′-cyanobiphenyl
  • CB 8 (liquid crystal)
  • K 24 (Liquid crystal)
  • K 24
  • 80BF
  • p-n-Octyl-p′-cyanobiphenyl
  • OCBP
  • 8TsB
  • CB 8
  • FR 2221
  • 8CB (liq. crystal)

Work with 8Cb

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 4′-Heptyl-4-cyanobiphenyl41122-71-8100 % 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

Terbinafine91161-71-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook