chempirical

4-Ethyl-4′-(trans-4-pentylcyclohexyl)-1,1′-biphenyl

C25H34CAS 79709-85-6334.55 g/mol

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Properties

Molecular formula
C25H34
Molar mass
334.55 g/mol
Exact mass
334.2661 Da
logP
7.77Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
7
Stereocentres
r, sin SMILES atom order

Identifiers

CAS number
79709-85-6
SMILES
CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc(CC)cc3)cc2)CC1
InChIKey
JOLGXBQYTARJLD-AFARHQOCNA-N
InChI
InChI=1/C25H34/c1-3-5-6-7-21-10-14-23(15-11-21)25-18-16-24(17-19-25)22-12-8-20(4-2)9-13-22/h8-9,12-13,16-19,21,23H,3-7,10-11,14-15H2,1-2H3/t21-,23-

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Names and synonyms

12 names
  • 1,1′-Biphenyl, 4-ethyl-4′-(trans-4-pentylcyclohexyl)-
  • 1,1′-Biphenyl, 4-ethyl-4′-(4-pentylcyclohexyl)-, trans-
  • S 1409
  • BCH 52
  • BiCH 52
  • ZLI 1409
  • 4-Ethyl-4′-(trans-4-pentylcyclohexyl)biphenyl
  • 4-(trans-4-Pentylcyclohexyl)-4′-ethylbiphenyl
  • 5-HBB-2
  • 5-Cy-ph-ph-2
  • CPP-5-2
  • (Trans)-4′-Ethyl-4-(4-pentylcyclohexyl)-1,1′-biphenyl

Work with 4-Ethyl-4′-(trans-4-pentylcyclohexyl)-1,1′-biphenyl

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-Ethyl-4′-(trans-4-propylcyclohexyl)-1,1′-biphenyl84540-37-480 % similar 4′-(trans-4-Pentylcyclohexyl)[1,1′-biphenyl]-4-carbonitrile68065-81-664 % similar 4-(trans-4-Pentylcyclohexyl)-1-fluorobenzene76802-61-462 % similar 1-Bromo-4-(trans-4-pentylcyclohexyl)benzene79832-89-662 % similar 4-(trans-4-Pentylcyclohexyl)phenol82575-69-762 % similar 3,4,5-Trifluoro-4′-(trans-4-pentylcyclohexyl)-1,1′-biphenyl137019-95-561 % similar 4-(trans-4-Pentylcyclohexyl)benzonitrile61204-01-157 % similar 1-Ethoxy-4-(trans-4-pentylcyclohexyl)benzene84540-32-957 % similar

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

Elsewhere

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