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

• CAS: 68065-81-6
• Catalog Number: ACM68065816
• Category: Other Products
• Molecular Weight: 331.5g/mol
• Molecular Formula: C24H29N
• IUPAC Name: 4-[4-(4-pentylcyclohexyl)phenyl]benzonitrile
• 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