N6-(4-methylphenyl)-N6,N13,N13-triphenyl-pentacene-6,13-diamine

Systemtic Name: N6-(4-methylphenyl)-N6,N13,N13-triphenyl-pentacene-6,13-diamine Openeye Name: N6,N13,N13-triphenyl-N6-(p-tolyl)pentacene-6,13-diamine CAS Name: N6-(4-methylphenyl)-N6,N13,N13-triphenylpentacene-6,13-diamine IUPAC Name: 6-N-(4-methylphenyl)-6-N,13-N,13-N-triphenylpentacene-6,13-diamine Traditional Name: diphenyl-[13-[N-(p-tolyl)anilino]pentacen-6-yl]amine Formula: C47H34N2 MolecularWeight: 626.78626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=C4C=C5C=CC=CC5=CC4=C(C6=CC7=CC=CC=C7C=C63)N(C8=CC=CC=C8)C9=CC=CC=C9

Isomeric SMILES

CC1=CC=C(C=C1)N(C2=CC=CC=C2)C3=C4C=C5C=CC=CC5=CC4=C(C6=CC7=CC=CC=C7C=C63)N(C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C47H34N2/c1-33-25-27-41(28-26-33)49(40-23-9-4-10-24-40)47-44-31-36-17-13-11-15-34(36)29-42(44)46(43-30-35-16-12-14-18-37(35)32-45(43)47)48(38-19-5-2-6-20-38)39-21-7-3-8-22-39/h2-32H,1H3