Info
| ID | 5456 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"O": 1, "N": 3} |
| Abbreviation | 1 |
| SMILES | COc1ccc(C(=O)[O-])nc1.Cn1[c-][n+](-c2[c-]cccc2)cc1.Cn1[c-][n+](-c2[c-]cccc2)cc1 |
TUCAN
C27H24IrN5O3/(1-40)(2-29)(3-31)(4-37)(5-39)(6-35)(7-33)(8-42)(9-37)(10-27)(11-37)(12-38)(13-34)(14-36)(15-32)(16-49)(17-41)(18-38)(19-28)(20-38)(21-30)(22-49)(23-49)(24-43)(25-28)(25-44)(26-30)(26-45)(27-28)(27-31)(29-31)(29-44)(30-34)(32-36)(32-50)(33-34)(33-35)(35-45)(36-46)(37-54)(38-55)(39-40)(39-52)(40-54)(41-42)(41-53)(42-55)(43-50)(43-56)(44-52)(45-53)(46-51)(46-56)(47-52)(47-54)(48-53)(48-55)(49-59)(50-59)(51-57)(51-58)(56-60)(59-60)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 1.2e+02 | — | 10.1039/C3CC40845K | 2013 |
| A549 | — | — | 10.1039/C3CC40845K | 2013 |
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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