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

Systemtic Name: 6,12-bis(2-adamantyloxy)-N3,N3,N9,N9-tetrakis(4-methylphenyl)perylene-3,9-diamine Openeye Name: 6,12-bis(2-adamantyloxy)-N3,N3,N9,N9-tetrakis(p-tolyl)perylene-3,9-diamine CAS Name: 6,12-bis(2-adamantyloxy)-N3,N3,N9,N9-tetrakis(4-methylphenyl)perylene-3,9-diamine IUPAC Name: 6,12-bis(2-adamantyloxy)-3-N,3-N,9-N,9-N-tetrakis(4-methylphenyl)perylene-3,9-diamine Traditional Name: [6,12-bis(2-adamantyloxy)-9-[4-methyl-N-(p-tolyl)anilino]perylen-3-yl]-bis(p-tolyl)amine Formula: C68H66N2O2 MolecularWeight: 943.26384

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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)OC1C2CC3CC(C2)CC1C3)OC1C2CC3CC(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)OC1C2CC3CC(C2)CC1C3)OC1C2CC3CC(C2)CC1C3

InChI

InChI=1S/C68H66N2O2/c1-39-5-13-51(14-6-39)69(52-15-7-40(2)8-16-52)59-25-21-57-63-55(59)23-27-61(71-67-47-31-43-29-44(33-47)34-48(67)32-43)65(63)58-22-26-60(70(53-17-9-41(3)10-18-53)54-19-11-42(4)12-20-54)56-24-28-62(66(57)64(56)58)72-68-49-35-45-30-46(37-49)38-50(68)36-45/h5-28,43-50,67-68H,29-38H2,1-4H3