N6,N13-bis[4-(cyclohexylidenemethyl)phenyl]-N6,N13-bis(4-methylphenyl)pentacene-6,13-diamine

Systemtic Name: N6,N13-bis[4-(cyclohexylidenemethyl)phenyl]-N6,N13-bis(4-methylphenyl)pentacene-6,13-diamine Openeye Name: N6,N13-bis[4-(cyclohexylidenemethyl)phenyl]-N6,N13-bis(p-tolyl)pentacene-6,13-diamine CAS Name: N6,N13-bis[4-(cyclohexylidenemethyl)phenyl]-N6,N13-bis(4-methylphenyl)pentacene-6,13-diamine IUPAC Name: 6-N,13-N-bis[4-(cyclohexylidenemethyl)phenyl]-6-N,13-N-bis(4-methylphenyl)pentacene-6,13-diamine Traditional Name: [4-(cyclohexylidenemethyl)phenyl]-[13-(N-[4-(cyclohexylidenemethyl)phenyl]-4-methyl-anilino)pentacen-6-yl]-(p-tolyl)amine Formula: C62H56N2 MolecularWeight: 829.12144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C=C3CCCCC3)C4=C5C=C6C=CC=CC6=CC5=C(C7=CC8=CC=CC=C8C=C74)N(C9=CC=C(C=C9)C)C1=CC=C(C=C1)C=C1CCCCC1

Isomeric SMILES

CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C=C3CCCCC3)C4=C5C=C6C=CC=CC6=CC5=C(C7=CC8=CC=CC=C8C=C74)N(C9=CC=C(C=C9)C)C1=CC=C(C=C1)C=C1CCCCC1

InChI

InChI=1S/C62H56N2/c1-43-21-29-53(30-22-43)63(55-33-25-47(26-34-55)37-45-13-5-3-6-14-45)61-57-39-49-17-9-11-19-51(49)41-59(57)62(60-42-52-20-12-10-18-50(52)40-58(60)61)64(54-31-23-44(2)24-32-54)56-35-27-48(28-36-56)38-46-15-7-4-8-16-46/h9-12,17-42H,3-8,13-16H2,1-2H3