Info
| ID | 5609 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | Ir-1 |
| SMILES | [c-]1ccsc1-c1ccccn1.[c-]1ccsc1-c1ccccn1.c1ccc(-c2nccc3c2[nH]c2ccccc23)nc1 |
TUCAN
C34H23IrN5S2/(1-37)(2-45)(3-44)(4-55)(5-46)(6-35)(7-27)(8-40)(9-34)(10-32)(11-31)(12-28)(13-38)(14-36)(15-30)(16-54)(17-26)(18-33)(19-39)(20-29)(21-41)(22-47)(23-58)(24-28)(24-56)(25-41)(25-57)(26-29)(26-38)(27-30)(27-47)(28-55)(29-52)(30-40)(31-37)(31-50)(32-35)(32-42)(33-36)(33-49)(34-37)(34-45)(35-36)(38-46)(39-43)(39-44)(40-53)(41-54)(42-43)(42-49)(43-51)(44-59)(45-60)(46-61)(47-62)(48-50)(48-51)(48-59)(49-58)(50-60)(51-58)(52-56)(52-61)(53-57)(53-62)(54-64)(55-63)(56-63)(57-64)(59-65)(60-65)(61-65)(62-65)(64-65)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 0.88 | — | 10.1039/C4CC01461H | 2014 |
| A549cisR | 1.1 | — | 10.1039/C4CC01461H | 2014 |
| A549 | 1.6 | — | 10.1039/C4CC01461H | 2014 |
| HepG2 | 1.8 | — | 10.1039/C4CC01461H | 2014 |
| LO2 | 7.3 | — | 10.1039/C4CC01461H | 2014 |
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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