N9,N10-diphenyl-N9,N10-di(pyren-1-yl)anthracene-9,10-diamine

Systemtic Name: N9,N10-diphenyl-N9,N10-di(pyren-1-yl)anthracene-9,10-diamine Openeye Name: N9,N10-diphenyl-N9,N10-di(pyren-1-yl)anthracene-9,10-diamine CAS Name: N9,N10-diphenyl-N9,N10-bis(1-pyrenyl)anthracene-9,10-diamine IUPAC Name: 9-N,10-N-diphenyl-9-N,10-N-di(pyren-1-yl)anthracene-9,10-diamine Traditional Name: phenyl-pyren-1-yl-[10-(N-pyren-1-ylanilino)-9-anthryl]amine Formula: C58H36N2 MolecularWeight: 760.91984

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)C6=C7C=CC=CC7=C(C8=CC=CC=C86)N(C9=CC=CC=C9)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

Isomeric SMILES

C1=CC=C(C=C1)N(C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2)C6=C7C=CC=CC7=C(C8=CC=CC=C86)N(C9=CC=CC=C9)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

InChI

InChI=1S/C58H36N2/c1-3-17-43(18-4-1)59(51-35-31-41-27-25-37-13-11-15-39-29-33-49(51)55(41)53(37)39)57-45-21-7-9-23-47(45)58(48-24-10-8-22-46(48)57)60(44-19-5-2-6-20-44)52-36-32-42-28-26-38-14-12-16-40-30-34-50(52)56(42)54(38)40/h1-36H