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

Systemtic Name: N1,N3-bis(3-methoxyphenyl)-N1,N3-di(pyren-1-yl)benzene-1,3-diamine Openeye Name: N1,N3-bis(3-methoxyphenyl)-N1,N3-di(pyren-1-yl)benzene-1,3-diamine CAS Name: N1,N3-bis(3-methoxyphenyl)-N1,N3-bis(1-pyrenyl)benzene-1,3-diamine IUPAC Name: 1-N,3-N-bis(3-methoxyphenyl)-1-N,3-N-di(pyren-1-yl)benzene-1,3-diamine Traditional Name: (3-methoxyphenyl)-[3-(3-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(=C1)N(C2=CC(=CC=C2)N(C3=CC(=CC=C3)OC)C4=C5C=CC6=CC=CC7=C6C5=C(C=C7)C=C4)C8=C9C=CC1=CC=CC2=C1C9=C(C=C2)C=C8

Isomeric SMILES

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

InChI

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