Info
| ID | 5394 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"O": 1, "N": 2} |
| Abbreviation | LDIr1 |
| SMILES | CCC(=O)/C=C(\[O-])CC.[c-]1ccccc1-c1nc2ccccc2s1.[c-]1ccccc1-c1nc2ccccc2s1 |
TUCAN
C33H27IrN2O2S2/(1-40)(2-46)(3-43)(4-39)(5-33)(6-42)(7-36)(8-38)(9-32)(10-28)(11-28)(12-28)(13-29)(14-49)(15-49)(16-48)(17-45)(18-41)(19-47)(20-37)(21-44)(22-34)(23-29)(24-50)(25-29)(26-50)(27-35)(28-49)(29-50)(30-48)(30-52)(31-41)(31-51)(32-34)(32-58)(33-41)(33-47)(34-40)(35-55)(35-56)(36-37)(36-52)(37-43)(38-44)(38-45)(39-45)(39-57)(40-46)(42-47)(42-51)(43-48)(44-53)(46-54)(49-55)(50-56)(51-59)(52-60)(53-57)(53-61)(54-58)(54-62)(55-63)(56-64)(57-66)(58-65)(59-62)(59-65)(60-61)(60-66)(61-67)(62-67)(66-67)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | — | 0.046 | 10.1016/j.dyepig.2022.110387 | 2022 |
| LO2 | — | 0.64 | 10.1016/j.dyepig.2022.110387 | 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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