Info
| ID | 6101 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 8} |
| Abbreviation | IrL3 |
| SMILES | [c-]1ccccc1-c1nccc2c1[nH]c1ccccc12.[c-]1ccccc1-c1nccc2c1[nH]c1ccccc12.c1cnc2c(c1)c1nccnc1c1cccnc12 |
TUCAN
C48H30IrN8/(1-47)(2-34)(3-48)(4-68)(5-63)(6-37)(7-44)(8-33)(9-51)(10-39)(11-36)(12-35)(13-41)(14-50)(15-43)(16-42)(17-53)(18-54)(19-45)(20-38)(21-67)(22-66)(23-65)(24-49)(25-40)(26-52)(27-64)(28-46)(29-81)(30-82)(31-33)(31-55)(32-38)(32-56)(33-41)(34-41)(34-42)(35-47)(35-57)(36-58)(36-63)(37-44)(37-50)(38-45)(39-45)(39-46)(40-59)(40-64)(42-55)(43-49)(43-61)(44-69)(46-56)(47-66)(48-50)(48-60)(49-65)(51-54)(51-62)(52-53)(52-54)(53-75)(55-76)(56-77)(57-70)(57-72)(58-60)(58-73)(59-62)(59-74)(60-69)(61-71)(61-78)(62-75)(63-83)(64-84)(65-86)(66-79)(67-68)(67-80)(68-85)(69-81)(70-78)(70-79)(71-72)(71-85)(72-80)(73-76)(73-81)(74-77)(74-82)(75-82)(76-83)(77-84)(78-86)(83-87)(84-87)(85-87)(86-87)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 0.28 | 0.037 | 10.1039/d4dt00390j | 2024 |
| PC-3 | 0.51 | 0.16 | 10.1039/d4dt00390j | 2024 |
| MRC-5 | 0.65 | 0.37 | 10.1039/d4dt00390j | 2024 |
| HeLa | 0.81 | 0.16 | 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.