Info
| ID | 5294 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 4} |
| Abbreviation | Ir1 |
| SMILES | C[n+]1[c-]n(Cn2[c-][n+](C)cc2)cc1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1 |
TUCAN
C39H32IrN6/(1-35)(2-41)(3-37)(4-42)(5-39)(6-43)(7-36)(8-62)(9-61)(10-63)(11-64)(12-59)(13-49)(14-38)(15-45)(16-40)(17-52)(18-54)(19-51)(20-59)(21-59)(22-60)(23-71)(24-47)(25-50)(26-44)(27-48)(28-53)(29-46)(30-60)(31-60)(32-71)(33-40)(33-56)(34-54)(34-58)(35-36)(35-55)(36-65)(37-38)(37-39)(38-51)(39-55)(40-43)(41-42)(41-43)(42-56)(44-49)(44-57)(45-50)(45-57)(46-50)(46-53)(47-52)(47-58)(48-52)(48-54)(49-68)(51-66)(53-67)(55-66)(56-65)(57-67)(58-68)(59-72)(60-75)(61-62)(61-73)(62-72)(63-64)(63-74)(64-75)(65-76)(66-76)(67-77)(68-77)(69-72)(69-73)(70-74)(70-75)(71-73)(71-74)(76-78)(77-78)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| LO2 | 1.2 | 0.1 | 10.1039/C7DT01903C | 2017 |
| HeLa | 1.3 | 0.069 | 10.1039/C7DT01903C | 2017 |
| A549cisR | 1.5 | 0.0019 | 10.1039/C7DT01903C | 2017 |
| U-87 MG | 1.6 | 0.029 | 10.1039/C7DT01903C | 2017 |
| A549 | 1.7 | 0.0034 | 10.1039/C7DT01903C | 2017 |
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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The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.