Info
| ID | 6099 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | IrL1 |
| SMILES | [c-]1ccccc1-c1nccc2c1[nH]c1ccccc12.[c-]1ccccc1-c1nccc2c1[nH]c1ccccc12.c1ccc(-c2ccccn2)nc1 |
TUCAN
C44H30IrN6/(1-35)(2-37)(3-63)(4-34)(5-36)(6-64)(7-40)(8-44)(9-33)(10-55)(11-42)(12-47)(13-38)(14-66)(15-45)(16-54)(17-46)(18-50)(19-53)(20-56)(21-51)(22-41)(23-39)(24-49)(25-48)(26-65)(27-52)(28-43)(29-75)(30-76)(31-33)(31-57)(32-41)(32-58)(33-45)(34-45)(34-46)(35-47)(35-50)(36-37)(36-70)(37-38)(38-63)(39-59)(39-64)(40-50)(40-60)(41-51)(42-51)(42-52)(43-62)(43-65)(44-53)(44-56)(46-57)(47-68)(48-49)(48-66)(49-54)(52-58)(53-72)(54-73)(55-56)(55-61)(57-69)(58-71)(59-60)(59-67)(60-68)(61-62)(61-72)(62-74)(63-78)(64-77)(65-79)(66-80)(67-69)(67-75)(68-75)(69-77)(70-73)(70-78)(71-74)(71-79)(72-76)(73-80)(74-76)(77-81)(78-81)(79-81)(80-81)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 1.9 | 0.31 | 10.1039/d4dt00390j | 2024 |
| PC-3 | 3.9 | 1.3 | 10.1039/d4dt00390j | 2024 |
| MRC-5 | 7.6 | 0.92 | 10.1039/d4dt00390j | 2024 |
| HeLa | 9.4 | 0.96 | 10.1039/d4dt00390j | 2024 |
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.