N1,N3-bis(2-methoxyphenyl)-N1,N3-di(pyren-1-yl)benzene-1,3-diamine

Systemtic Name: N1,N3-bis(2-methoxyphenyl)-N1,N3-di(pyren-1-yl)benzene-1,3-diamine Openeye Name: N1,N3-bis(2-methoxyphenyl)-N1,N3-di(pyren-1-yl)benzene-1,3-diamine CAS Name: N1,N3-bis(2-methoxyphenyl)-N1,N3-bis(1-pyrenyl)benzene-1,3-diamine IUPAC Name: 1-N,3-N-bis(2-methoxyphenyl)-1-N,3-N-di(pyren-1-yl)benzene-1,3-diamine Traditional Name: (2-methoxyphenyl)-[3-(2-methoxy-N-pyren-1-yl-anilino)phenyl]-pyren-1-yl-amine Formula: C52H36N2O2 MolecularWeight: 720.85444

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N(C2=CC(=CC=C2)N(C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)C7=CC=CC=C7OC)C8=C9C=CC1=CC=CC2=C1C9=C(C=C2)C=C8

Isomeric SMILES

COC1=CC=CC=C1N(C2=CC(=CC=C2)N(C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)C7=CC=CC=C7OC)C8=C9C=CC1=CC=CC2=C1C9=C(C=C2)C=C8

InChI

InChI=1S/C52H36N2O2/c1-55-47-18-5-3-16-45(47)53(43-30-26-37-22-20-33-10-7-12-35-24-28-41(43)51(37)49(33)35)39-14-9-15-40(32-39)54(46-17-4-6-19-48(46)56-2)44-31-27-38-23-21-34-11-8-13-36-25-29-42(44)52(38)50(34)36/h3-32H,1-2H3