N1,N6-bis[4-[methyl(phenyl)amino]phenyl]-N1,N6-diphenyl-pyrene-1,6-diamine

Systemtic Name: N1,N6-bis[4-[methyl(phenyl)amino]phenyl]-N1,N6-diphenyl-pyrene-1,6-diamine Openeye Name: N1,N6-bis[4-(N-methylanilino)phenyl]-N1,N6-diphenyl-pyrene-1,6-diamine CAS Name: N1,N6-bis[4-(N-methylanilino)phenyl]-N1,N6-diphenylpyrene-1,6-diamine IUPAC Name: 1-N,6-N-bis[4-(N-methylanilino)phenyl]-1-N,6-N-diphenylpyrene-1,6-diamine Traditional Name: methyl-[4-(N-[6-(N-[4-(N-methylanilino)phenyl]anilino)pyren-1-yl]anilino)phenyl]-phenyl-amine Formula: C54H42N4 MolecularWeight: 746.93808

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=CC=C(C=C2)N(C3=CC=CC=C3)C4=C5C=CC6=C7C5=C(C=CC7=C(C=C6)N(C8=CC=CC=C8)C9=CC=C(C=C9)N(C)C1=CC=CC=C1)C=C4

Isomeric SMILES

CN(C1=CC=CC=C1)C2=CC=C(C=C2)N(C3=CC=CC=C3)C4=C5C=CC6=C7C5=C(C=CC7=C(C=C6)N(C8=CC=CC=C8)C9=CC=C(C=C9)N(C)C1=CC=CC=C1)C=C4

InChI

InChI=1S/C54H42N4/c1-55(41-15-7-3-8-16-41)43-27-31-47(32-28-43)57(45-19-11-5-12-20-45)51-37-25-39-24-36-50-52(38-26-40-23-35-49(51)53(39)54(40)50)58(46-21-13-6-14-22-46)48-33-29-44(30-34-48)56(2)42-17-9-4-10-18-42/h3-38H,1-2H3