10,15,20-triphenyl-5-[4-(trifluoromethyl)phenyl]sulfanyl-21,22-dihydroporphyrin

Systemtic Name: 10,15,20-triphenyl-5-[4-(trifluoromethyl)phenyl]sulfanyl-21,22-dihydroporphyrin Openeye Name: 10,15,20-triphenyl-5-[4-(trifluoromethyl)phenyl]sulfanyl-21,22-dihydroporphyrin CAS Name: 10,15,20-triphenyl-5-[[4-(trifluoromethyl)phenyl]thio]-21,22-dihydroporphyrin IUPAC Name: 10,15,20-triphenyl-5-[4-(trifluoromethyl)phenyl]sulfanyl-21,22-dihydroporphyrin Traditional Name: 10,15,20-triphenyl-5-[[4-(trifluoromethyl)phenyl]thio]-21,22-dihydroporphine Formula: C45H29F3N4S MolecularWeight: 714.79877

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)SC9=CC=C(C=C9)C(F)(F)F)N3

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C=CC(=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)SC9=CC=C(C=C9)C(F)(F)F)N3

InChI

InChI=1S/C45H29F3N4S/c46-45(47,48)31-16-18-32(19-17-31)53-44-39-26-24-37(51-39)42(29-12-6-2-7-13-29)35-22-20-33(49-35)41(28-10-4-1-5-11-28)34-21-23-36(50-34)43(30-14-8-3-9-15-30)38-25-27-40(44)52-38/h1-27,51-52H