chempirical

4′′-Pentyl-4-cyano-P-terphenyl

C24H23NCAS 54211-46-0325.45 g/mol

Open in Covalent MOL file
N
Nitrile

Properties

Molecular formula
C24H23N
Molar mass
325.45 g/mol
Exact mass
325.1830 Da
logP
6.63Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
6

Identifiers

CAS number
54211-46-0
SMILES
CCCCCc1ccc(-c2ccc(-c3ccc(C#N)cc3)cc2)cc1
InChIKey
AITQOXOBSMXBRV-UHFFFAOYSA-N
InChI
InChI=1S/C24H23N/c1-2-3-4-5-19-6-10-21(11-7-19)23-14-16-24(17-15-23)22-12-8-20(18-25)9-13-22/h6-17H,2-5H2,1H3

Weigh it out

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

Names and synonyms

16 names · show all
  • [1,1′:4′,1′′-Terphenyl]-4-carbonitrile, 4′′-pentyl-
  • 5CT
  • 4′′-Pentyl[1,1′:4′,1′′-terphenyl]-4-carbonitrile
  • 4-Cyano-4′′-pentylterphenyl
  • 4′′-Pentyl-p-terphenyl-4-carbonitrile
  • 4-(p-Pentylphenyl)-4′-cyanobiphenyl
  • T 15
  • p-Pentyl-p′-cyanoterphenyl
  • 4-Pentyl-4′′-cyano-p-terphenyl
  • 4-Cyano-4′′-pentyl-p-terphenyl
  • 4-Cyano-4′-pentyl-p-terphenyl
  • 4-Pentyl-4′-cyano-p-terphenyl
  • 5TP
  • 4-Cyano-4′′-n-pentyl-1,1′,1′′-terphenyl
  • 1-Pentyl[4,1′:4′,1′′]terphenyl-4′′-carbonitrile
  • 5-BBB-C

Work with 4′′-Pentyl-4-cyano-P-terphenyl

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-Cyano-4'-pentylbiphenyl40817-08-1100 % 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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