2-(4-methoxyphenyl)sulfanyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin

Systemtic Name: 2-(4-methoxyphenyl)sulfanyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin Openeye Name: 2-(4-methoxyphenyl)sulfanyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin CAS Name: 2-[(4-methoxyphenyl)thio]-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin IUPAC Name: 2-(4-methoxyphenyl)sulfanyl-5,10,15,20-tetraphenyl-21,22-dihydroporphyrin Traditional Name: 2-[(4-methoxyphenyl)thio]-5,10,15,20-tetraphenyl-21,22-dihydroporphine Formula: C51H36N4OS MolecularWeight: 752.92274

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2=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

COC1=CC=C(C=C1)SC2=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/C51H36N4OS/c1-56-37-22-24-38(25-23-37)57-46-32-45-49(35-18-10-4-11-19-35)43-29-28-41(53-43)47(33-14-6-2-7-15-33)39-26-27-40(52-39)48(34-16-8-3-9-17-34)42-30-31-44(54-42)50(51(46)55-45)36-20-12-5-13-21-36/h2-32,53,55H,1H3