N1-[4-(diethylamino)phenyl]-N6-(4-methylphenyl)-N1,N6-diphenyl-pyrene-1,6-diamine

Systemtic Name: N1-[4-(diethylamino)phenyl]-N6-(4-methylphenyl)-N1,N6-diphenyl-pyrene-1,6-diamine Openeye Name: N1-[4-(diethylamino)phenyl]-N1,N6-diphenyl-N6-(p-tolyl)pyrene-1,6-diamine CAS Name: N1-[4-(diethylamino)phenyl]-N6-(4-methylphenyl)-N1,N6-diphenylpyrene-1,6-diamine IUPAC Name: 1-N-[4-(diethylamino)phenyl]-6-N-(4-methylphenyl)-1-N,6-N-diphenylpyrene-1,6-diamine Traditional Name: diethyl-[4-(N-[6-[N-(p-tolyl)anilino]pyren-1-yl]anilino)phenyl]amine Formula: C45H39N3 MolecularWeight: 621.81126

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=C4C=CC5=C6C4=C(C=CC6=C(C=C5)N(C7=CC=CC=C7)C8=CC=C(C=C8)C)C=C3

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=C4C=CC5=C6C4=C(C=CC6=C(C=C5)N(C7=CC=CC=C7)C8=CC=C(C=C8)C)C=C3

InChI

InChI=1S/C45H39N3/c1-4-46(5-2)35-24-26-39(27-25-35)48(37-14-10-7-11-15-37)43-31-21-34-18-28-40-42(30-20-33-19-29-41(43)45(34)44(33)40)47(36-12-8-6-9-13-36)38-22-16-32(3)17-23-38/h6-31H,4-5H2,1-3H3