Info
| ID | 6100 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | IrL2 |
| SMILES | [c-]1ccccc1-c1nccc2c1[nH]c1ccccc12.[c-]1ccccc1-c1nccc2c1[nH]c1ccccc12.c1cnc2c(c1)ccc1cccnc12 |
TUCAN
C46H30IrN6/(1-52)(2-36)(3-67)(4-35)(5-33)(6-55)(7-34)(8-41)(9-68)(10-53)(11-44)(12-43)(13-50)(14-37)(15-56)(16-42)(17-49)(18-48)(19-39)(20-65)(21-66)(22-51)(23-54)(24-47)(25-45)(26-46)(27-38)(28-40)(29-77)(30-78)(31-33)(31-57)(32-38)(32-58)(33-42)(34-42)(34-43)(35-44)(35-59)(36-45)(36-59)(37-60)(37-67)(38-47)(39-47)(39-48)(40-62)(40-68)(41-49)(41-61)(43-57)(44-63)(45-65)(46-50)(46-66)(48-58)(49-52)(50-63)(51-54)(51-64)(52-53)(53-69)(54-55)(55-56)(56-76)(57-74)(58-75)(59-70)(60-61)(60-72)(61-69)(62-64)(62-73)(63-71)(64-76)(65-81)(66-82)(67-79)(68-80)(69-77)(70-71)(70-81)(71-82)(72-74)(72-77)(73-75)(73-78)(74-79)(75-80)(76-78)(79-83)(80-83)(81-83)(82-83)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 0.48 | 0.046 | 10.1039/d4dt00390j | 2024 |
| PC-3 | 1.7 | 0.25 | 10.1039/d4dt00390j | 2024 |
| HeLa | 5.6 | 0.33 | 10.1039/d4dt00390j | 2024 |
| MRC-5 | 7.6 | 0.39 | 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.