5,15-bis[(2-methylphenyl)sulfanyl]-10,20-diphenyl-21,22-dihydroporphyrin

Systemtic Name: 5,15-bis[(2-methylphenyl)sulfanyl]-10,20-diphenyl-21,22-dihydroporphyrin Openeye Name: 5,15-bis(o-tolylsulfanyl)-10,20-diphenyl-21,22-dihydroporphyrin CAS Name: 5,15-bis[(2-methylphenyl)thio]-10,20-diphenyl-21,22-dihydroporphyrin IUPAC Name: 5,15-bis[(2-methylphenyl)sulfanyl]-10,20-diphenyl-21,22-dihydroporphyrin Traditional Name: 5,15-bis(o-tolylthio)-10,20-diphenyl-21,22-dihydroporphine Formula: C46H34N4S2 MolecularWeight: 706.91896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SC2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CC=C7)C=C5)SC8=CC=CC=C8C)C=C4)C9=CC=CC=C9)N3

Isomeric SMILES

CC1=CC=CC=C1SC2=C3C=CC(=C(C4=NC(=C(C5=NC(=C(C6=CC=C2N6)C7=CC=CC=C7)C=C5)SC8=CC=CC=C8C)C=C4)C9=CC=CC=C9)N3

InChI

InChI=1S/C46H34N4S2/c1-29-13-9-11-19-41(29)51-45-37-25-21-33(47-37)43(31-15-5-3-6-16-31)35-23-27-39(49-35)46(52-42-20-12-10-14-30(42)2)40-28-24-36(50-40)44(32-17-7-4-8-18-32)34-22-26-38(45)48-34/h3-28,47-48H,1-2H3