5,10,20-tris(3,5-ditert-butylcyclohexyl)-15-piperidin-3-yl-21,22-dihydroporphyrin

Systemtic Name: 5,10,20-tris(3,5-ditert-butylcyclohexyl)-15-piperidin-3-yl-21,22-dihydroporphyrin Openeye Name: 5,10,20-tris(3,5-ditert-butylcyclohexyl)-15-(3-piperidyl)-21,22-dihydroporphyrin CAS Name: 5,10,20-tris(3,5-ditert-butylcyclohexyl)-15-(3-piperidinyl)-21,22-dihydroporphyrin IUPAC Name: 5,10,20-tris(3,5-ditert-butylcyclohexyl)-15-piperidin-3-yl-21,22-dihydroporphyrin Traditional Name: 5,10,20-tris(3,5-ditert-butylcyclohexyl)-15-(3-piperidyl)-21,22-dihydroporphine Formula: C67H101N5 MolecularWeight: 976.55234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CC(CC(C1)C(C)(C)C)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7CCCNC7)C8CC(CC(C8)C(C)(C)C)C(C)(C)C)C9CC(CC(C9)C(C)(C)C)C(C)(C)C)N3

Isomeric SMILES

CC(C)(C)C1CC(CC(C1)C(C)(C)C)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7CCCNC7)C8CC(CC(C8)C(C)(C)C)C(C)(C)C)C9CC(CC(C9)C(C)(C)C)C(C)(C)C)N3

InChI

InChI=1S/C67H101N5/c1-62(2,3)44-30-41(31-45(36-44)63(4,5)6)59-52-23-21-50(69-52)58(40-20-19-29-68-39-40)51-22-24-53(70-51)60(42-32-46(64(7,8)9)37-47(33-42)65(10,11)12)55-26-28-57(72-55)61(56-27-25-54(59)71-56)43-34-48(66(13,14)15)38-49(35-43)67(16,17)18/h21-28,40-49,68,71-72H,19-20,29-39H2,1-18H3