N1,N6-diphenyl-N1,N6-bis[4-[(E)-2-phenylethenyl]phenyl]pyrene-1,6-diamine

Systemtic Name: N1,N6-diphenyl-N1,N6-bis[4-[(E)-2-phenylethenyl]phenyl]pyrene-1,6-diamine Openeye Name: N1,N6-diphenyl-N1,N6-bis[4-[(E)-styryl]phenyl]pyrene-1,6-diamine CAS Name: N1,N6-diphenyl-N1,N6-bis[4-[(E)-2-phenylethenyl]phenyl]pyrene-1,6-diamine IUPAC Name: 1-N,6-N-diphenyl-1-N,6-N-bis[4-[(E)-2-phenylethenyl]phenyl]pyrene-1,6-diamine Traditional Name: phenyl-[4-[(E)-styryl]phenyl]-[6-(N-[4-[(E)-styryl]phenyl]anilino)pyren-1-yl]amine Formula: C56H40N2 MolecularWeight: 740.9302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC2=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)C=CC1=CC=CC=C1)C=C4

Isomeric SMILES

C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)N(C3=C4C5=C(C=C3)C=CC6=C(C=CC(=C56)C=C4)N(C7=CC=C(C=C7)/C=C/C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1

InChI

InChI=1S/C56H40N2/c1-5-13-41(14-6-1)21-23-43-25-33-49(34-26-43)57(47-17-9-3-10-18-47)53-39-31-45-30-38-52-54(40-32-46-29-37-51(53)55(45)56(46)52)58(48-19-11-4-12-20-48)50-35-27-44(28-36-50)24-22-42-15-7-2-8-16-42/h1-40H/b23-21+,24-22+