3-[9-(2-cyanoethyl)-2,7-bis[(3-methylphenyl)-phenyl-amino]fluoren-9-yl]propanenitrile

Systemtic Name: 3-[9-(2-cyanoethyl)-2,7-bis[(3-methylphenyl)-phenyl-amino]fluoren-9-yl]propanenitrile Openeye Name: 3-[9-(2-cyanoethyl)-2,7-bis[N-(m-tolyl)anilino]fluoren-9-yl]propanenitrile CAS Name: 3-[9-(2-cyanoethyl)-2,7-bis(N-(3-methylphenyl)anilino)-9-fluorenyl]propanenitrile IUPAC Name: 3-[9-(2-cyanoethyl)-2,7-bis(N-(3-methylphenyl)anilino)fluoren-9-yl]propanenitrile Traditional Name: 3-[9-(2-cyanoethyl)-2,7-bis[N-(m-tolyl)anilino]fluoren-9-yl]propionitrile Formula: C45H38N4 MolecularWeight: 634.81002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)C5=C(C4(CCC#N)CCC#N)C=C(C=C5)N(C6=CC=CC=C6)C7=CC=CC(=C7)C

Isomeric SMILES

CC1=CC(=CC=C1)N(C2=CC=CC=C2)C3=CC4=C(C=C3)C5=C(C4(CCC#N)CCC#N)C=C(C=C5)N(C6=CC=CC=C6)C7=CC=CC(=C7)C

InChI

InChI=1S/C45H38N4/c1-33-13-9-19-37(29-33)48(35-15-5-3-6-16-35)39-21-23-41-42-24-22-40(32-44(42)45(25-11-27-46,26-12-28-47)43(41)31-39)49(36-17-7-4-8-18-36)38-20-10-14-34(2)30-38/h3-10,13-24,29-32H,11-12,25-26H2,1-2H3