10,15-dicyclohexyl-2,3,7,8,12,13,17,18-octaethyl-5,20-diphenyl-21,22-dihydroporphyrin

Systemtic Name: 10,15-dicyclohexyl-2,3,7,8,12,13,17,18-octaethyl-5,20-diphenyl-21,22-dihydroporphyrin Openeye Name: 10,15-dicyclohexyl-2,3,7,8,12,13,17,18-octaethyl-5,20-diphenyl-21,22-dihydroporphyrin CAS Name: 10,15-dicyclohexyl-2,3,7,8,12,13,17,18-octaethyl-5,20-diphenyl-21,22-dihydroporphyrin IUPAC Name: 10,15-dicyclohexyl-2,3,7,8,12,13,17,18-octaethyl-5,20-diphenyl-21,22-dihydroporphyrin Traditional Name: 10,15-dicyclohexyl-2,3,7,8,12,13,17,18-octaethyl-5,20-diphenyl-21,22-dihydroporphine Formula: C60H74N4 MolecularWeight: 851.25636

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C3=NC(=C(C4=NC(=C(C5=C(C(=C(N5)C(=C1N2)C6=CC=CC=C6)CC)CC)C7CCCCC7)C(=C4CC)CC)C8CCCCC8)C(=C3CC)CC)C9=CC=CC=C9)CC

Isomeric SMILES

CCC1=C(C2=C(C3=NC(=C(C4=NC(=C(C5=C(C(=C(N5)C(=C1N2)C6=CC=CC=C6)CC)CC)C7CCCCC7)C(=C4CC)CC)C8CCCCC8)C(=C3CC)CC)C9=CC=CC=C9)CC

InChI

InChI=1S/C60H74N4/c1-9-41-42(10-2)54-50(38-31-23-18-24-32-38)56-45(13-5)46(14-6)58(63-56)52(40-35-27-20-28-36-40)60-48(16-8)47(15-7)59(64-60)51(39-33-25-19-26-34-39)57-44(12-4)43(11-3)55(62-57)49(53(41)61-54)37-29-21-17-22-30-37/h17-18,21-24,29-32,39-40,61-62H,9-16,19-20,25-28,33-36H2,1-8H3