Info
| ID | 5656 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"O": 1, "N": 2} |
| Abbreviation | Ir7 |
| SMILES | CC(=O)[O-].CC(C)(C)c1ccc(/N=C/c2ccccc2[NH-])cc1.Cc1c(C)c(C)[c-](-c2ccccc2)c1C |
TUCAN
C34H39IrN2O2/(1-50)(2-41)(3-41)(4-41)(5-57)(6-56)(7-42)(8-49)(9-42)(10-51)(11-42)(12-52)(13-58)(14-45)(15-59)(16-70)(17-45)(18-45)(19-46)(20-46)(21-55)(22-60)(23-46)(24-53)(25-40)(26-40)(27-54)(28-40)(29-48)(30-43)(31-43)(32-43)(33-44)(34-44)(35-44)(36-47)(37-47)(38-47)(39-74)(40-61)(41-63)(42-65)(43-66)(44-73)(45-69)(46-69)(47-69)(48-53)(48-71)(49-50)(49-52)(50-51)(51-67)(52-58)(53-54)(54-55)(55-64)(56-57)(56-72)(57-68)(58-67)(59-60)(59-72)(60-68)(61-63)(61-66)(62-63)(62-65)(62-67)(64-70)(64-71)(65-66)(68-69)(70-75)(71-74)(72-75)(73-76)(73-77)(74-78)(75-78)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 7.5 | — | 10.1016/j.jinorgbio.2024.11263... | 2024 |
| A549 | 9.3 | — | 10.1016/j.jinorgbio.2024.11263... | 2024 |
| A549cisR | 12 | — | 10.1016/j.jinorgbio.2024.11263... | 2024 |
| BEAS-2B | 22 | — | 10.1016/j.jinorgbio.2024.11263... | 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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