4-[4-(2-butylphenyl)-2-phenyl-3-[5-(4-propylphenyl)pentyl]phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-(2-butylphenyl)-2-phenyl-3-[5-(4-propylphenyl)pentyl]phenyl]benzenecarbonitrile Openeye Name: 4-[4-(2-butylphenyl)-2-phenyl-3-[5-(4-propylphenyl)pentyl]phenyl]benzonitrile CAS Name: 4-[4-(2-butylphenyl)-2-phenyl-3-[5-(4-propylphenyl)pentyl]phenyl]benzonitrile IUPAC Name: 4-[4-(2-butylphenyl)-2-phenyl-3-[5-(4-propylphenyl)pentyl]phenyl]benzonitrile Traditional Name: 4-[4-(2-butylphenyl)-2-phenyl-3-[5-(4-propylphenyl)pentyl]phenyl]benzonitrile Formula: C43H45N MolecularWeight: 575.8241

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1C2=C(C(=C(C=C2)C3=CC=C(C=C3)C#N)C4=CC=CC=C4)CCCCCC5=CC=C(C=C5)CCC

Isomeric SMILES

CCCCC1=CC=CC=C1C2=C(C(=C(C=C2)C3=CC=C(C=C3)C#N)C4=CC=CC=C4)CCCCCC5=CC=C(C=C5)CCC

InChI

InChI=1S/C43H45N/c1-3-5-16-36-17-12-13-20-39(36)41-31-30-40(37-28-26-35(32-44)27-29-37)43(38-18-9-7-10-19-38)42(41)21-11-6-8-15-34-24-22-33(14-4-2)23-25-34/h7,9-10,12-13,17-20,22-31H,3-6,8,11,14-16,21H2,1-2H3