Info
| ID | 4841 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 8} |
| Abbreviation | 3a |
| SMILES | [c-]1ccsc1-c1nc2ccccc2[nH]1.[c-]1ccsc1-c1nc2ccccc2[nH]1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 |
TUCAN
C40H24IrN8S2/(1-28)(2-37)(3-32)(4-38)(5-42)(6-61)(7-31)(8-48)(9-34)(10-36)(11-40)(12-43)(13-33)(14-29)(15-47)(16-35)(17-41)(18-30)(19-27)(20-62)(21-39)(22-44)(23-67)(24-68)(25-33)(25-63)(26-35)(26-64)(27-30)(27-40)(28-30)(28-52)(29-32)(29-34)(31-37)(31-45)(32-36)(33-61)(34-50)(35-62)(36-49)(37-48)(38-41)(38-46)(39-44)(39-56)(40-55)(41-47)(42-43)(42-44)(43-58)(45-51)(45-53)(46-54)(46-57)(47-69)(48-66)(49-50)(49-70)(50-67)(51-57)(51-65)(52-55)(52-65)(53-54)(53-66)(54-69)(55-71)(56-58)(56-68)(57-71)(58-72)(59-63)(59-67)(59-70)(60-64)(60-68)(60-72)(61-73)(62-74)(63-73)(64-74)(69-75)(70-75)(71-75)(72-75)(73-75)(74-75)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 2.9 | 1.4 | 10.1039/C9QI00811J | 2019 |
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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The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.