2,17,18,20-tetrakis(1-adamantyl)-21,22-dihydroporphyrin

Systemtic Name: 2,17,18,20-tetrakis(1-adamantyl)-21,22-dihydroporphyrin Openeye Name: 2,17,18,20-tetrakis(1-adamantyl)-21,22-dihydroporphyrin CAS Name: 2,17,18,20-tetrakis(1-adamantyl)-21,22-dihydroporphyrin IUPAC Name: 2,17,18,20-tetrakis(1-adamantyl)-21,22-dihydroporphyrin Traditional Name: 2,17,18,20-tetrakis(1-adamantyl)-21,22-dihydroporphine Formula: C60H70N4 MolecularWeight: 847.2246

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C5C(=C6C(=C(C(=N6)C=C7C=CC(=N7)C=C8C=CC(=CC(=C4)N5)N8)C91CC2CC(C9)CC(C2)C1)C12CC3CC(C1)CC(C3)C2)C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C5C(=C6C(=C(C(=N6)C=C7C=CC(=N7)C=C8C=CC(=CC(=C4)N5)N8)C91CC2CC(C9)CC(C2)C1)C12CC3CC(C1)CC(C3)C2)C12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C60H70N4/c1-2-47-18-49-19-50(57-21-33-5-34(22-57)7-35(6-33)23-57)55(63-49)54(60-30-42-14-43(31-60)16-44(15-42)32-60)56-53(59-27-39-11-40(28-59)13-41(12-39)29-59)52(58-24-36-8-37(25-58)10-38(9-36)26-58)51(64-56)20-48-4-3-46(62-48)17-45(1)61-47/h1-4,17-20,33-44,61,63H,5-16,21-32H2