Info
| ID | 5109 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"O": 1, "N": 2} |
| Abbreviation | Ir2 |
| SMILES | CC(C)c1cc(S(=O)(=O)[O-])cc(C(C)C)c1/N=C/c1cc2ccccc2cn1.Cc1c(C)c(C)[c-](C)c1C.[Cl-] |
TUCAN
C32H38IrN2O3S/(1-51)(2-39)(3-52)(4-39)(5-39)(6-40)(7-40)(8-40)(9-41)(10-41)(11-41)(12-67)(13-44)(14-42)(15-42)(16-42)(17-43)(18-48)(19-50)(20-49)(21-66)(22-43)(23-43)(24-53)(25-44)(26-44)(27-45)(28-64)(29-65)(30-45)(31-45)(32-46)(33-54)(34-46)(35-46)(36-47)(37-47)(38-47)(39-55)(40-56)(41-59)(42-60)(43-61)(44-64)(45-64)(46-65)(47-65)(48-49)(48-57)(49-50)(50-51)(51-58)(52-58)(52-68)(53-62)(53-70)(54-63)(54-70)(55-56)(55-59)(56-60)(57-58)(57-66)(59-61)(60-61)(62-64)(62-69)(63-65)(63-69)(66-72)(67-68)(67-71)(68-72)(69-71)(70-76)(71-77)(72-77)(73-76)(74-76)(75-76)(76-77)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | — | — | 10.1039/c9dt00259f | 2019 |
| HeLa | — | — | 10.1039/c9dt00259f | 2019 |
| HepG2 | — | — | 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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