N3,N3,N4,N4,N9,N9-hexakis(4-methylphenyl)perylene-3,4,9-triamine

Systemtic Name: N3,N3,N4,N4,N9,N9-hexakis(4-methylphenyl)perylene-3,4,9-triamine Openeye Name: N3,N3,N4,N4,N9,N9-hexakis(p-tolyl)perylene-3,4,9-triamine CAS Name: N3,N3,N4,N4,N9,N9-hexakis(4-methylphenyl)perylene-3,4,9-triamine IUPAC Name: 3-N,3-N,4-N,4-N,9-N,9-N-hexakis(4-methylphenyl)perylene-3,4,9-triamine Traditional Name: [4,9-bis[4-methyl-N-(p-tolyl)anilino]perylen-3-yl]-bis(p-tolyl)amine Formula: C62H51N3 MolecularWeight: 838.08844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C)C3=C4C(=CC=C5C4=C(C=C3)C6=C7C5=CC=C(C7=CC=C6)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)N(C2=CC=C(C=C2)C)C3=C4C(=CC=C5C4=C(C=C3)C6=C7C5=CC=C(C7=CC=C6)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/C62H51N3/c1-40-10-22-46(23-11-40)63(47-24-12-41(2)13-25-47)57-37-34-53-55-36-39-59(65(50-30-18-44(5)19-31-50)51-32-20-45(6)21-33-51)62-58(38-35-54(61(55)62)52-8-7-9-56(57)60(52)53)64(48-26-14-42(3)15-27-48)49-28-16-43(4)17-29-49/h7-39H,1-6H3