Info
| ID | 5799 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ir2 |
| SMILES | [c-]1c(-c2nccc3ccccc23)sc2ccccc12.[c-]1c(-c2nccc3ccccc23)sc2ccccc12.c1cnc2c(c1)c1nc(-c3ccncc3)oc1c1cccnc12 |
TUCAN
C52H30IrN6OS2/(1-41)(2-68)(3-34)(4-44)(5-69)(6-39)(7-37)(8-36)(9-71)(10-42)(11-54)(12-52)(13-33)(14-55)(15-38)(16-35)(17-40)(18-49)(19-50)(20-46)(21-67)(22-43)(23-53)(24-66)(25-45)(26-56)(27-70)(28-48)(29-47)(30-51)(31-59)(31-79)(32-65)(32-80)(33-39)(33-81)(34-36)(34-60)(35-36)(35-37)(37-58)(38-58)(38-66)(39-54)(40-62)(40-70)(41-45)(41-67)(42-46)(42-47)(43-46)(43-62)(44-54)(44-59)(45-63)(47-61)(48-51)(48-82)(49-64)(49-68)(50-64)(50-71)(51-56)(52-53)(52-69)(53-57)(55-56)(55-65)(57-74)(57-77)(58-60)(59-81)(60-72)(61-62)(61-75)(63-73)(63-76)(64-78)(65-82)(66-85)(67-87)(68-83)(69-84)(70-86)(71-83)(72-79)(72-85)(73-77)(73-88)(74-76)(74-84)(75-80)(75-86)(76-87)(77-89)(78-88)(78-89)(79-90)(80-91)(81-90)(82-91)(85-92)(86-92)(87-92)(88-92)(90-92)(91-92)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 0.47 | 0.058 | 10.1016/j.saa.2025.126098 | 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.