N3,N3,N10,N10,4,9-hexakis(4-methylphenyl)perylene-3,10-diamine

Systemtic Name: N3,N3,N10,N10,4,9-hexakis(4-methylphenyl)perylene-3,10-diamine Openeye Name: N3,N3,N10,N10,4,9-hexakis(p-tolyl)perylene-3,10-diamine CAS Name: N3,N3,N10,N10,4,9-hexakis(4-methylphenyl)perylene-3,10-diamine IUPAC Name: 3-N,3-N,10-N,10-N,4,9-hexakis(4-methylphenyl)perylene-3,10-diamine Traditional Name: [10-[4-methyl-N-(p-tolyl)anilino]-4,9-bis(p-tolyl)perylen-3-yl]-bis(p-tolyl)amine Formula: C62H50N2 MolecularWeight: 823.0738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C(=CC=C4C3=C(C=C2)C5=C6C4=CC=C(C6=C(C=C5)C7=CC=C(C=C7)C)N(C8=CC=C(C=C8)C)C9=CC=C(C=C9)C)N(C1=CC=C(C=C1)C)C1=CC=C(C=C1)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C(=CC=C4C3=C(C=C2)C5=C6C4=CC=C(C6=C(C=C5)C7=CC=C(C=C7)C)N(C8=CC=C(C=C8)C)C9=CC=C(C=C9)C)N(C1=CC=C(C=C1)C)C1=CC=C(C=C1)C

InChI

InChI=1S/C62H50N2/c1-39-7-19-45(20-8-39)51-31-33-53-54-34-32-52(46-21-9-40(2)10-22-46)62-58(64(49-27-15-43(5)16-28-49)50-29-17-44(6)18-30-50)38-36-56(60(54)62)55-35-37-57(61(51)59(53)55)63(47-23-11-41(3)12-24-47)48-25-13-42(4)14-26-48/h7-38H,1-6H3