Info
| ID | 5113 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 2} |
| Abbreviation | Ir6 |
| SMILES | CC(C)c1cccc(C(C)C)c1/N=C/c1cc2ccccc2cn1.Cc1c(C)c(C)[c-](C)c1C.[Cl-] |
TUCAN
C32H39IrN2/(1-68)(2-40)(3-49)(4-40)(5-40)(6-41)(7-50)(8-51)(9-41)(10-41)(11-42)(12-42)(13-42)(14-43)(15-43)(16-45)(17-45)(18-45)(19-46)(20-55)(21-46)(22-54)(23-46)(24-47)(25-66)(26-47)(27-67)(28-47)(29-56)(30-48)(31-52)(32-43)(33-44)(34-48)(35-44)(36-53)(37-69)(38-44)(39-48)(40-57)(41-58)(42-59)(43-60)(44-61)(45-66)(46-66)(47-67)(48-67)(49-50)(49-62)(50-51)(51-52)(52-63)(53-63)(53-70)(54-55)(54-56)(55-64)(56-65)(57-58)(57-59)(58-60)(59-61)(60-61)(62-63)(62-68)(64-66)(64-71)(65-67)(65-71)(68-72)(69-70)(69-73)(70-72)(71-73)(72-74)(73-74)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| BEAS-2B | 1.9 | — | 10.1039/c9dt00259f | 2019 |
| HeLa | 3.4 | — | 10.1039/c9dt00259f | 2019 |
| A549 | 5.4 | — | 10.1039/c9dt00259f | 2019 |
| HepG2 | 23 | — | 10.1039/c9dt00259f | 2019 |
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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