N1,N3-bis(3,4-dimethoxyphenyl)-N1,N3-di(pyren-1-yl)benzene-1,3-diamine

Systemtic Name: N1,N3-bis(3,4-dimethoxyphenyl)-N1,N3-di(pyren-1-yl)benzene-1,3-diamine Openeye Name: N1,N3-bis(3,4-dimethoxyphenyl)-N1,N3-di(pyren-1-yl)benzene-1,3-diamine CAS Name: N1,N3-bis(3,4-dimethoxyphenyl)-N1,N3-bis(1-pyrenyl)benzene-1,3-diamine IUPAC Name: 1-N,3-N-bis(3,4-dimethoxyphenyl)-1-N,3-N-di(pyren-1-yl)benzene-1,3-diamine Traditional Name: (3,4-dimethoxyphenyl)-[3-(3,4-dimethoxy-N-pyren-1-yl-anilino)phenyl]-pyren-1-yl-amine Formula: C54H40N2O4 MolecularWeight: 780.9064

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(C2=CC(=CC=C2)N(C3=CC(=C(C=C3)OC)OC)C4=C5C=CC6=CC=CC7=C6C5=C(C=C7)C=C4)C8=C9C=CC1=CC=CC2=C1C9=C(C=C2)C=C8)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N(C2=CC(=CC=C2)N(C3=CC(=C(C=C3)OC)OC)C4=C5C=CC6=CC=CC7=C6C5=C(C=C7)C=C4)C8=C9C=CC1=CC=CC2=C1C9=C(C=C2)C=C8)OC

InChI

InChI=1S/C54H40N2O4/c1-57-47-28-22-41(31-49(47)59-3)55(45-26-20-37-16-14-33-8-5-10-35-18-24-43(45)53(37)51(33)35)39-12-7-13-40(30-39)56(42-23-29-48(58-2)50(32-42)60-4)46-27-21-38-17-15-34-9-6-11-36-19-25-44(46)54(38)52(34)36/h5-32H,1-4H3