5,10,15,20-tetraphenyl-2-propylsulfanyl-21,22-dihydroporphyrin

Systemtic Name: 5,10,15,20-tetraphenyl-2-propylsulfanyl-21,22-dihydroporphyrin Openeye Name: 5,10,15,20-tetraphenyl-2-propylsulfanyl-21,22-dihydroporphyrin CAS Name: 5,10,15,20-tetraphenyl-2-(propylthio)-21,22-dihydroporphyrin IUPAC Name: 5,10,15,20-tetraphenyl-2-propylsulfanyl-21,22-dihydroporphyrin Traditional Name: 5,10,15,20-tetraphenyl-2-(propylthio)-21,22-dihydroporphine Formula: C47H36N4S MolecularWeight: 688.88054

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C2C(=C3C=CC(=N3)C(=C4C=CC(=N4)C(=C5C=CC(=C(C(=C1)N2)C6=CC=CC=C6)N5)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9

Isomeric SMILES

CCCSC1=C2C(=C3C=CC(=N3)C(=C4C=CC(=N4)C(=C5C=CC(=C(C(=C1)N2)C6=CC=CC=C6)N5)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9

InChI

InChI=1S/C47H36N4S/c1-2-29-52-42-30-41-45(33-19-11-5-12-20-33)39-26-25-37(49-39)43(31-15-7-3-8-16-31)35-23-24-36(48-35)44(32-17-9-4-10-18-32)38-27-28-40(50-38)46(47(42)51-41)34-21-13-6-14-22-34/h3-28,30,49,51H,2,29H2,1H3