N1,N1,N3-triphenyl-N3-pyren-1-yl-benzene-1,3-diamine

Systemtic Name: N1,N1,N3-triphenyl-N3-pyren-1-yl-benzene-1,3-diamine Openeye Name: N1,N1,N3-triphenyl-N3-pyren-1-yl-benzene-1,3-diamine CAS Name: N1,N1,N3-triphenyl-N3-(1-pyrenyl)benzene-1,3-diamine IUPAC Name: 1-N,1-N,3-N-triphenyl-3-N-pyren-1-ylbenzene-1,3-diamine Traditional Name: diphenyl-[3-(N-pyren-1-ylanilino)phenyl]amine Formula: C40H28N2 MolecularWeight: 536.66372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC(=CC=C3)N(C4=CC=CC=C4)C5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5

Isomeric SMILES

C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=CC(=CC=C3)N(C4=CC=CC=C4)C5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5

InChI

InChI=1S/C40H28N2/c1-4-14-32(15-5-1)41(33-16-6-2-7-17-33)35-20-11-21-36(28-35)42(34-18-8-3-9-19-34)38-27-25-31-23-22-29-12-10-13-30-24-26-37(38)40(31)39(29)30/h1-28H