4-phenethyl-2,3,6-tris(phenylmethyl)benzenecarbonitrile

Systemtic Name: 4-phenethyl-2,3,6-tris(phenylmethyl)benzenecarbonitrile Openeye Name: 2,3,6-tribenzyl-4-phenethyl-benzonitrile CAS Name: 4-phenethyl-2,3,6-tris(phenylmethyl)benzonitrile IUPAC Name: 2,3,6-tribenzyl-4-phenethylbenzonitrile Traditional Name: 2,3,6-tribenzyl-4-phenethyl-benzonitrile Formula: C36H31N MolecularWeight: 477.63804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=C(C(=C(C(=C2)CC3=CC=CC=C3)C#N)CC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CCC2=C(C(=C(C(=C2)CC3=CC=CC=C3)C#N)CC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C36H31N/c37-27-36-33(23-29-15-7-2-8-16-29)26-32(22-21-28-13-5-1-6-14-28)34(24-30-17-9-3-10-18-30)35(36)25-31-19-11-4-12-20-31/h1-20,26H,21-25H2