Info
| ID | 5904 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ir1a |
| SMILES | FC1(F)Oc2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2O1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C42H26F2IrN6O2/(1-55)(2-29)(3-30)(4-34)(5-48)(6-35)(7-56)(8-43)(9-47)(10-32)(11-37)(12-49)(13-40)(14-57)(15-41)(16-33)(17-39)(18-31)(19-46)(20-45)(21-38)(22-58)(23-42)(24-44)(25-36)(26-70)(27-33)(27-50)(28-36)(28-52)(29-37)(29-55)(30-37)(30-59)(31-44)(31-56)(32-33)(32-35)(34-35)(34-50)(36-46)(38-40)(38-51)(39-42)(39-54)(40-58)(41-53)(41-66)(42-57)(43-46)(43-48)(44-47)(45-49)(45-67)(47-60)(48-52)(49-53)(50-59)(51-61)(51-62)(52-60)(53-65)(54-63)(54-64)(55-71)(56-74)(57-69)(58-73)(59-71)(60-74)(61-64)(61-73)(62-63)(62-72)(63-70)(64-69)(65-70)(65-72)(66-67)(66-75)(67-76)(68-75)(68-76)(68-77)(68-78)(71-79)(72-79)(73-79)(74-79)(75-79)(76-79)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| SGC-7901 | 2.7 | — | 10.1007/s11243-025-00642-w | 2025 |
| A549 | 8.6 | — | 10.1007/s11243-025-00642-w | 2025 |
| NIH-3T3 | 9.6 | — | 10.1007/s11243-025-00642-w | 2025 |
| SK-Hep1 | 16 | — | 10.1007/s11243-025-00642-w | 2025 |
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.