Info
| ID | 6115 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 8} |
| Abbreviation | 3 |
| SMILES | Cc1cc(C)n(-c2[c-]cccc2)n1.Cc1cc(C)n(-c2[c-]cccc2)n1.c1c[nH]c(-c2ncc[nH]2)n1 |
TUCAN
C28H28IrN8/(1-29)(2-45)(3-31)(4-31)(5-29)(6-35)(7-31)(8-32)(9-29)(10-30)(11-30)(12-46)(13-32)(14-43)(15-47)(16-40)(17-32)(18-44)(19-30)(20-36)(21-39)(22-38)(23-42)(24-48)(25-37)(26-41)(27-57)(28-58)(29-49)(30-54)(31-52)(32-53)(33-40)(33-50)(34-42)(34-51)(35-38)(35-40)(36-38)(36-50)(37-41)(37-51)(39-41)(39-42)(43-49)(43-52)(44-53)(44-54)(45-46)(45-57)(46-61)(47-48)(47-58)(48-62)(49-59)(50-59)(51-60)(52-63)(53-64)(54-60)(55-56)(55-57)(55-61)(56-58)(56-62)(59-63)(60-64)(61-65)(62-65)(63-65)(64-65)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| CCRF-CEM | 0.31 | — | 10.1039/d4dt01796j | 2024 |
| MCF-7 | 1.5 | — | 10.1039/d4dt01796j | 2024 |
| K-562 | 1.7 | — | 10.1039/d4dt01796j | 2024 |
| BJ | 2.1 | — | 10.1039/d4dt01796j | 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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