N-[4-[4-(diphenylamino)phenyl]phenyl]-N-phenyl-pyren-1-amine

Systemtic Name: N-[4-[4-(diphenylamino)phenyl]phenyl]-N-phenyl-pyren-1-amine Openeye Name: N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]pyren-1-amine CAS Name: N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-1-pyrenamine IUPAC Name: N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]pyren-1-amine Traditional Name: diphenyl-[4-[4-(N-pyren-1-ylanilino)phenyl]phenyl]amine Formula: C46H32N2 MolecularWeight: 612.75968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)N(C5=CC=CC=C5)C6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6

Isomeric SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)N(C5=CC=CC=C5)C6=C7C=CC8=CC=CC9=C8C7=C(C=C9)C=C6

InChI

InChI=1S/C46H32N2/c1-4-13-38(14-5-1)47(39-15-6-2-7-16-39)41-27-21-33(22-28-41)34-23-29-42(30-24-34)48(40-17-8-3-9-18-40)44-32-26-37-20-19-35-11-10-12-36-25-31-43(44)46(37)45(35)36/h1-32H