N1,N2,3-triphenyl-N1,N2-di(pyren-2-yl)benzene-1,2-diamine

Systemtic Name: N1,N2,3-triphenyl-N1,N2-di(pyren-2-yl)benzene-1,2-diamine Openeye Name: N1,N2,3-triphenyl-N1,N2-di(pyren-2-yl)benzene-1,2-diamine CAS Name: N1,N2,3-triphenyl-N1,N2-bis(2-pyrenyl)benzene-1,2-diamine IUPAC Name: 1-N,2-N,3-triphenyl-1-N,2-N-di(pyren-2-yl)benzene-1,2-diamine Traditional Name: phenyl-[2-phenyl-6-(N-pyren-2-ylanilino)phenyl]-pyren-2-yl-amine Formula: C56H36N2 MolecularWeight: 736.89844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=CC=C2)N(C3=CC=CC=C3)C4=CC5=C6C(=C4)C=CC7=C6C(=CC=C7)C=C5)N(C8=CC=CC=C8)C9=CC1=C2C(=C9)C=CC3=C2C(=CC=C3)C=C1

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=CC=C2)N(C3=CC=CC=C3)C4=CC5=C6C(=C4)C=CC7=C6C(=CC=C7)C=C5)N(C8=CC=CC=C8)C9=CC1=C2C(=C9)C=CC3=C2C(=CC=C3)C=C1

InChI

InChI=1S/C56H36N2/c1-4-13-37(14-5-1)50-23-12-24-51(57(46-19-6-2-7-20-46)48-33-42-29-25-38-15-10-16-39-26-30-43(34-48)54(42)52(38)39)56(50)58(47-21-8-3-9-22-47)49-35-44-31-27-40-17-11-18-41-28-32-45(36-49)55(44)53(40)41/h1-36H