Info
| ID | 6068 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 4} |
| Abbreviation | 3a-PF6 |
| SMILES | Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1cccnc1-c1ncccc1C(=O)O |
TUCAN
C34H20F4IrN4O4/(1-24)(2-23)(3-30)(4-35)(5-41)(6-42)(7-26)(8-29)(9-36)(10-28)(11-44)(12-32)(13-25)(14-31)(15-27)(16-33)(17-34)(18-43)(19-61)(20-62)(21-29)(21-38)(22-36)(22-40)(23-51)(23-52)(24-26)(24-41)(25-30)(25-32)(26-37)(27-53)(27-54)(28-31)(28-39)(29-51)(30-45)(31-44)(32-42)(33-34)(33-43)(34-35)(35-47)(36-54)(37-46)(37-49)(38-45)(38-52)(39-48)(39-50)(40-47)(40-53)(41-55)(42-56)(43-57)(44-58)(45-56)(46-48)(46-55)(47-57)(48-58)(49-59)(49-61)(50-60)(50-62)(51-64)(52-63)(53-66)(54-65)(55-67)(56-67)(57-67)(58-67)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| BEAS-2B | 24 | — | 10.1039/d3dt00028a | 2023 |
| A549 | 33 | — | 10.1039/d3dt00028a | 2023 |
| HeLa | 51 | — | 10.1039/d3dt00028a | 2023 |
Source-assisted 2D generator
Builds the drawing from source ligand graphs and explicit donor metadata, then uses Metal2D only for layout. Publication output uses black bonds without arrows or colour highlighting; validated octahedral enantiomers are encoded directly with solid and hashed wedge bonds.
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