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

Systemtic Name: N1,N6-bis[4-(diphenylamino)phenyl]-N1,N6-diphenyl-pyrene-1,6-diamine Openeye Name: N1,N6-diphenyl-N1,N6-bis[4-(N-phenylanilino)phenyl]pyrene-1,6-diamine CAS Name: N1,N6-diphenyl-N1,N6-bis[4-(N-phenylanilino)phenyl]pyrene-1,6-diamine IUPAC Name: 1-N,6-N-diphenyl-1-N,6-N-bis[4-(N-phenylanilino)phenyl]pyrene-1,6-diamine Traditional Name: diphenyl-[4-(N-[6-(N-[4-(N-phenylanilino)phenyl]anilino)pyren-1-yl]anilino)phenyl]amine Formula: C64H46N4 MolecularWeight: 871.07684

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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)N(C4=CC=CC=C4)C5=C6C=CC7=C8C6=C(C=CC8=C(C=C7)N(C9=CC=CC=C9)C1=CC=C(C=C1)N(C1=CC=CC=C1)C1=CC=CC=C1)C=C5

Isomeric SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC=C(C=C3)N(C4=CC=CC=C4)C5=C6C=CC7=C8C6=C(C=CC8=C(C=C7)N(C9=CC=CC=C9)C1=CC=C(C=C1)N(C1=CC=CC=C1)C1=CC=CC=C1)C=C5

InChI

InChI=1S/C64H46N4/c1-7-19-49(20-8-1)65(50-21-9-2-10-22-50)55-35-39-57(40-36-55)67(53-27-15-5-16-28-53)61-45-33-47-32-44-60-62(46-34-48-31-43-59(61)63(47)64(48)60)68(54-29-17-6-18-30-54)58-41-37-56(38-42-58)66(51-23-11-3-12-24-51)52-25-13-4-14-26-52/h1-46H