5,15-bis(cyclohexylsulfanyl)-10,20-diphenyl-21,22-dihydroporphyrin

Systemtic Name: 5,15-bis(cyclohexylsulfanyl)-10,20-diphenyl-21,22-dihydroporphyrin Openeye Name: 5,15-bis(cyclohexylsulfanyl)-10,20-diphenyl-21,22-dihydroporphyrin CAS Name: 5,15-bis(cyclohexylthio)-10,20-diphenyl-21,22-dihydroporphyrin IUPAC Name: 5,15-bis(cyclohexylsulfanyl)-10,20-diphenyl-21,22-dihydroporphyrin Traditional Name: 5,15-bis(cyclohexylthio)-10,20-diphenyl-21,22-dihydroporphine Formula: C44H42N4S2 MolecularWeight: 690.96108

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SC2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CC=C7)C=C5)SC8CCCCC8)C=C4)C9=CC=CC=C9)N3

Isomeric SMILES

C1CCC(CC1)SC2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CC=C7)C=C5)SC8CCCCC8)C=C4)C9=CC=CC=C9)N3

InChI

InChI=1S/C44H42N4S2/c1-5-13-29(14-6-1)41-33-21-25-37(45-33)43(49-31-17-9-3-10-18-31)39-27-23-35(47-39)42(30-15-7-2-8-16-30)36-24-28-40(48-36)44(38-26-22-34(41)46-38)50-32-19-11-4-12-20-32/h1-2,5-8,13-16,21-28,31-32,45,47H,3-4,9-12,17-20H2