6,12-bis(2-adamantyl)-N3,N3,N9,N9-tetrakis(4-methylphenyl)perylene-3,9-diamine

Systemtic Name: 6,12-bis(2-adamantyl)-N3,N3,N9,N9-tetrakis(4-methylphenyl)perylene-3,9-diamine Openeye Name: 6,12-bis(2-adamantyl)-N3,N3,N9,N9-tetrakis(p-tolyl)perylene-3,9-diamine CAS Name: 6,12-bis(2-adamantyl)-N3,N3,N9,N9-tetrakis(4-methylphenyl)perylene-3,9-diamine IUPAC Name: 6,12-bis(2-adamantyl)-3-N,3-N,9-N,9-N-tetrakis(4-methylphenyl)perylene-3,9-diamine Traditional Name: [6,12-bis(2-adamantyl)-9-[4-methyl-N-(p-tolyl)anilino]perylen-3-yl]-bis(p-tolyl)amine Formula: C68H66N2 MolecularWeight: 911.26504

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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=C(C=CC7=C(C=CC5=C76)N(C8=CC=C(C=C8)C)C9=CC=C(C=C9)C)C1C2CC3CC(C2)CC1C3)C1C2CC3CC(C2)CC1C3

Isomeric SMILES

CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C)C3=C4C=CC(=C5C4=C(C=C3)C6=C(C=CC7=C(C=CC5=C76)N(C8=CC=C(C=C8)C)C9=CC=C(C=C9)C)C1C2CC3CC(C2)CC1C3)C1C2CC3CC(C2)CC1C3

InChI

InChI=1S/C68H66N2/c1-39-5-13-51(14-6-39)69(52-15-7-40(2)8-16-52)61-27-25-59-65-55(61)21-23-57(63-47-31-43-29-44(33-47)34-48(63)32-43)67(65)60-26-28-62(70(53-17-9-41(3)10-18-53)54-19-11-42(4)12-20-54)56-22-24-58(68(59)66(56)60)64-49-35-45-30-46(37-49)38-50(64)36-45/h5-28,43-50,63-64H,29-38H2,1-4H3