2-(2-methylphenyl)sulfanyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin

Systemtic Name: 2-(2-methylphenyl)sulfanyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin Openeye Name: 2-(o-tolylsulfanyl)-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin CAS Name: 2-[(2-methylphenyl)thio]-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin IUPAC Name: 2-(2-methylphenyl)sulfanyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin Traditional Name: 2-(o-tolylthio)-5,10,15,20-tetraphenyl-21,22-dihydroporphine Formula: C51H36N4S MolecularWeight: 736.92334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SC2=C3C(=C4C=CC(=N4)C(=C5C=CC(=N5)C(=C6C=CC(=C(C(=C2)N3)C7=CC=CC=C7)N6)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1

Isomeric SMILES

CC1=CC=CC=C1SC2=C3C(=C4C=CC(=N4)C(=C5C=CC(=N5)C(=C6C=CC(=C(C(=C2)N3)C7=CC=CC=C7)N6)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1

InChI

InChI=1S/C51H36N4S/c1-33-16-14-15-25-45(33)56-46-32-44-49(36-21-10-4-11-22-36)42-29-28-40(53-42)47(34-17-6-2-7-18-34)38-26-27-39(52-38)48(35-19-8-3-9-20-35)41-30-31-43(54-41)50(51(46)55-44)37-23-12-5-13-24-37/h2-32,53,55H,1H3