4-[[6-[(4-cyanophenyl)-phenyl-amino]pyren-1-yl]-phenyl-amino]benzenecarbonitrile

Systemtic Name: 4-[[6-[(4-cyanophenyl)-phenyl-amino]pyren-1-yl]-phenyl-amino]benzenecarbonitrile Openeye Name: 4-(N-[6-(N-(4-cyanophenyl)anilino)pyren-1-yl]anilino)benzonitrile CAS Name: 4-(N-[6-(N-(4-cyanophenyl)anilino)-1-pyrenyl]anilino)benzonitrile IUPAC Name: 4-(N-[6-(N-(4-cyanophenyl)anilino)pyren-1-yl]anilino)benzonitrile Traditional Name: 4-(N-[6-(N-(4-cyanophenyl)anilino)pyren-1-yl]anilino)benzonitrile Formula: C42H26N4 MolecularWeight: 586.68264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C2=CC=C(C=C2)C#N)C3=C4C=CC5=C6C4=C(C=CC6=C(C=C5)N(C7=CC=CC=C7)C8=CC=C(C=C8)C#N)C=C3

Isomeric SMILES

C1=CC=C(C=C1)N(C2=CC=C(C=C2)C#N)C3=C4C=CC5=C6C4=C(C=CC6=C(C=C5)N(C7=CC=CC=C7)C8=CC=C(C=C8)C#N)C=C3

InChI

InChI=1S/C42H26N4/c43-27-29-11-19-35(20-12-29)45(33-7-3-1-4-8-33)39-25-17-31-16-24-38-40(26-18-32-15-23-37(39)41(31)42(32)38)46(34-9-5-2-6-10-34)36-21-13-30(28-44)14-22-36/h1-26H