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

Systemtic Name: N1,N2-di(perylen-2-yl)-N1,N2,3-triphenyl-benzene-1,2-diamine Openeye Name: N1,N2-di(perylen-2-yl)-N1,N2,3-triphenyl-benzene-1,2-diamine CAS Name: N1,N2-bis(2-perylenyl)-N1,N2,3-triphenylbenzene-1,2-diamine IUPAC Name: 1-N,2-N-di(perylen-2-yl)-1-N,2-N,3-triphenylbenzene-1,2-diamine Traditional Name: perylen-2-yl-[2-(N-perylen-2-ylanilino)-3-phenyl-phenyl]-phenyl-amine Formula: C64H40N2 MolecularWeight: 837.0158

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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=CC=C6C7=CC=CC8=C7C5=CC=C8)N(C9=CC=CC=C9)C1=CC2=C3C(=C1)C=CC=C3C1=CC=CC3=C1C2=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=CC=C2)N(C3=CC=CC=C3)C4=CC5=C6C(=C4)C=CC=C6C7=CC=CC8=C7C5=CC=C8)N(C9=CC=CC=C9)C1=CC2=C3C(=C1)C=CC=C3C1=CC=CC3=C1C2=CC=C3

InChI

InChI=1S/C64H40N2/c1-4-17-41(18-5-1)50-29-16-36-59(65(46-25-6-2-7-26-46)48-37-44-23-14-32-53-51-30-10-19-42-21-12-34-55(60(42)51)57(39-48)62(44)53)64(50)66(47-27-8-3-9-28-47)49-38-45-24-15-33-54-52-31-11-20-43-22-13-35-56(61(43)52)58(40-49)63(45)54/h1-40H