trans-4'-(4-Pentylcyclohexyl)-4-biphenylcarbonitrile

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Catalog Number
ACM68065816
Product Name
trans-4'-(4-Pentylcyclohexyl)-4-biphenylcarbonitrile
Structure
Structure
CAS
68065-81-6
Category
Heterocyclic Organic Compound
IUPAC Name
4-[4-(4-pentylcyclohexyl)phenyl]benzonitrile
Molecular Weight
331.5g/mol
Molecular Formula
C24H29N
Canonical SMILES
CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N
InChI
InChI=1S/C24H29N/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/h8-9,12-17,19,21H,2-7,10-11H2,1H3
InChI Key
QKEBUASRTJNJJS-UHFFFAOYSA-N
Complexity
409
Covalently-Bonded Unit Count
1
EC Number
268-333-6
Exact Mass
331.23g/mol
Formal Charge
0
H-Bond Acceptor
1
H-Bond Donor
0
Heavy Atom Count
25
Monoisotopic Mass
331.23g/mol
Rotatable Bond Count
6
XLogP3
8.2
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