Info
| ID | 5286 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ir3 |
| SMILES | [c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1cn[nH]c1.c1cn[nH]c1 |
TUCAN
C28H24IrN6/(1-33)(2-36)(3-34)(4-45)(5-37)(6-46)(7-30)(8-29)(9-27)(10-47)(11-35)(12-41)(13-28)(14-48)(15-49)(16-39)(17-42)(18-38)(19-31)(20-50)(21-40)(22-32)(23-53)(24-54)(25-29)(25-43)(26-40)(26-44)(27-34)(27-51)(28-34)(28-46)(29-36)(30-33)(30-36)(31-38)(31-48)(32-38)(32-52)(33-43)(35-45)(35-49)(37-41)(37-44)(39-47)(39-50)(40-42)(41-42)(43-51)(44-52)(45-57)(46-55)(47-58)(48-56)(49-53)(50-54)(51-55)(52-56)(53-57)(54-58)(55-59)(56-59)(57-59)(58-59)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| PC-3 | 18 | 0.87 | 10.1039/C7DT02477K | 2017 |
| A549cisR | 25 | 0.51 | 10.1039/C7DT02477K | 2017 |
| A549 | 30 | 0.74 | 10.1039/C7DT02477K | 2017 |
| HepG2 | 32 | 0.59 | 10.1039/C7DT02477K | 2017 |
| LO2 | 43 | 1.8 | 10.1039/C7DT02477K | 2017 |
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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