4-[[3,5-bis(4-hexylphenyl)-1H-pyrrol-2-yl]carbonyl]benzenecarbonitrile

Systemtic Name: 4-[[3,5-bis(4-hexylphenyl)-1H-pyrrol-2-yl]carbonyl]benzenecarbonitrile Openeye Name: 4-[3,5-bis(4-hexylphenyl)-1H-pyrrole-2-carbonyl]benzonitrile CAS Name: 4-[[3,5-bis(4-hexylphenyl)-1H-pyrrol-2-yl]-oxomethyl]benzonitrile IUPAC Name: 4-[3,5-bis(4-hexylphenyl)-1H-pyrrole-2-carbonyl]benzonitrile Traditional Name: 4-[3,5-bis(4-hexylphenyl)-1H-pyrrole-2-carbonyl]benzonitrile Formula: C36H40N2O MolecularWeight: 516.7156

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CC(=C(N2)C(=O)C3=CC=C(C=C3)C#N)C4=CC=C(C=C4)CCCCCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC(=C(N2)C(=O)C3=CC=C(C=C3)C#N)C4=CC=C(C=C4)CCCCCC

InChI

InChI=1S/C36H40N2O/c1-3-5-7-9-11-27-13-19-30(20-14-27)33-25-34(31-21-15-28(16-22-31)12-10-8-6-4-2)38-35(33)36(39)32-23-17-29(26-37)18-24-32/h13-25,38H,3-12H2,1-2H3