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

Systemtic Name: N1,N6,N6-triphenyl-N1-[4-[(E)-2-phenylethenyl]phenyl]pyrene-1,6-diamine Openeye Name: N1,N6,N6-triphenyl-N1-[4-[(E)-styryl]phenyl]pyrene-1,6-diamine CAS Name: N1,N6,N6-triphenyl-N1-[4-[(E)-2-phenylethenyl]phenyl]pyrene-1,6-diamine IUPAC Name: 1-N,6-N,6-N-triphenyl-1-N-[4-[(E)-2-phenylethenyl]phenyl]pyrene-1,6-diamine Traditional Name: diphenyl-[6-(N-[4-[(E)-styryl]phenyl]anilino)pyren-1-yl]amine Formula: C48H34N2 MolecularWeight: 638.79696

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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=CC=C9)C=C4

Isomeric SMILES

C1=CC=C(C=C1)/C=C/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=CC=C9)C=C4

InChI

InChI=1S/C48H34N2/c1-5-13-35(14-6-1)21-22-36-23-29-42(30-24-36)50(41-19-11-4-12-20-41)46-34-28-38-25-31-43-45(33-27-37-26-32-44(46)48(38)47(37)43)49(39-15-7-2-8-16-39)40-17-9-3-10-18-40/h1-34H/b22-21+