Info
| ID | 4872 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ir1 |
| SMILES | [c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1c[nH]cn1.c1c[nH]cn1 |
TUCAN
C28H24IrN6/(1-33)(2-45)(3-35)(4-34)(5-44)(6-43)(7-40)(8-37)(9-30)(10-51)(11-28)(12-29)(13-27)(14-46)(15-39)(16-32)(17-52)(18-47)(19-36)(20-48)(21-31)(22-38)(23-53)(24-54)(25-29)(25-41)(26-39)(26-42)(27-34)(27-49)(28-34)(28-45)(29-35)(30-33)(30-35)(31-37)(31-47)(32-37)(32-50)(33-41)(36-38)(36-42)(38-40)(39-40)(41-49)(42-50)(43-44)(43-53)(44-57)(45-55)(46-48)(46-58)(47-56)(48-54)(49-55)(50-56)(51-53)(51-57)(52-54)(52-58)(55-59)(56-59)(57-59)(58-59)
Measurements (9)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 17 | — | 10.1016/j.jinorgbio.2022.11180... | 2022 |
| PC-3 | 19 | 0.59 | 10.1039/C7DT02477K | 2017 |
| HepG2 | 29 | — | 10.1016/j.jinorgbio.2022.11180... | 2022 |
| A549cisR | 31 | 0.94 | 10.1039/C7DT02477K | 2017 |
| A549 | 32 | 0.76 | 10.1039/C7DT02477K | 2017 |
| HepG2 | 39 | 0.63 | 10.1039/C7DT02477K | 2017 |
| HLF | 40 | — | 10.1016/j.jinorgbio.2022.11180... | 2022 |
| LO2 | 49 | — | 10.1016/j.jinorgbio.2022.11180... | 2022 |
| LO2 | 58 | 1.3 | 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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