1,7-bis(1-adamantyl)-N3,N3,N9,N9-tetrakis(4-methylphenyl)perylene-3,9-diamine

Systemtic Name: 1,7-bis(1-adamantyl)-N3,N3,N9,N9-tetrakis(4-methylphenyl)perylene-3,9-diamine Openeye Name: 1,7-bis(1-adamantyl)-N3,N3,N9,N9-tetrakis(p-tolyl)perylene-3,9-diamine CAS Name: 1,7-bis(1-adamantyl)-N3,N3,N9,N9-tetrakis(4-methylphenyl)perylene-3,9-diamine IUPAC Name: 1,7-bis(1-adamantyl)-3-N,3-N,9-N,9-N-tetrakis(4-methylphenyl)perylene-3,9-diamine Traditional Name: [1,7-bis(1-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=CC(=C4C5=C6C(=CC=C5)C(=CC(=C6C7=C4C3=CC=C7)C89CC1CC(C8)CC(C1)C9)N(C1=CC=C(C=C1)C)C1=CC=C(C=C1)C)C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CC1=CC=C(C=C1)N(C2=CC=C(C=C2)C)C3=CC(=C4C5=C6C(=CC=C5)C(=CC(=C6C7=C4C3=CC=C7)C89CC1CC(C8)CC(C1)C9)N(C1=CC=C(C=C1)C)C1=CC=C(C=C1)C)C12CC3CC(C1)CC(C3)C2

InChI

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