Info
| ID | 6060 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"N": 3, "O": 1} |
| Abbreviation | Ir2 |
| SMILES | O=c1cc(C(F)(F)F)c2ccc(/N=C/c3ccccc3[O-])cc2o1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C39H25F3IrN3O3/(1-29)(2-43)(3-55)(4-28)(5-34)(6-39)(7-56)(8-38)(9-30)(10-32)(11-31)(12-47)(13-48)(14-42)(15-49)(16-35)(17-45)(18-44)(19-40)(20-37)(21-57)(22-36)(23-41)(24-33)(25-46)(26-44)(26-50)(27-46)(27-53)(28-34)(28-55)(29-30)(29-50)(30-38)(31-34)(31-58)(32-40)(32-43)(33-45)(33-59)(35-60)(35-62)(36-42)(36-49)(37-48)(37-52)(38-44)(39-45)(39-56)(40-46)(41-49)(41-61)(42-54)(43-53)(47-51)(47-63)(48-60)(50-58)(51-52)(51-64)(52-62)(53-59)(54-57)(54-61)(55-65)(56-67)(57-66)(58-65)(59-67)(60-66)(61-68)(62-70)(63-69)(63-70)(64-71)(64-72)(64-73)(65-74)(66-74)(67-74)(70-74)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 15 | — | 10.3389/fchem.2022.906954 | 2022 |
| BEAS-2B | 78 | — | 10.3389/fchem.2022.906954 | 2022 |
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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