Info
| ID | 5141 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 2 |
| Donor atoms | {"N": 7} |
| Abbreviation | Ir3 |
| SMILES | Cn1c(-c2cccc(-c3nc4ccccc4n3C)n2)nc2ccccc21.[Cl-].c1ccc(-c2ccccn2)nc1 |
TUCAN
C31H25IrN7/(1-42)(2-26)(3-31)(4-28)(5-41)(6-27)(7-45)(8-32)(9-44)(10-44)(11-43)(12-36)(13-46)(14-34)(15-38)(16-44)(17-29)(18-39)(19-37)(20-43)(21-43)(22-40)(23-30)(24-35)(25-33)(26-34)(26-47)(27-34)(27-45)(28-37)(28-54)(29-38)(29-50)(30-39)(30-53)(31-32)(31-41)(32-52)(33-35)(33-46)(35-36)(36-49)(37-40)(38-39)(40-51)(41-42)(42-48)(43-58)(44-59)(45-60)(46-61)(47-49)(47-60)(48-52)(48-59)(49-61)(50-53)(50-58)(51-55)(51-62)(52-57)(53-63)(54-56)(54-62)(55-57)(55-59)(56-58)(56-63)(60-64)(61-64)(62-64)(63-64)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | — | — | 10.1039/C7DT02273E | 2017 |
| MCF-7 | — | 1.9e+02 | 10.1039/C7DT02273E | 2017 |
| A549 | — | — | 10.1039/C7DT02273E | 2017 |
| A549cisR | — | — | 10.1039/C7DT02273E | 2017 |
| LO2 | — | 1.9e+02 | 10.1039/C7DT02273E | 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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