Info
| ID | 6022 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ir4 |
| SMILES | [c-]1c(-c2nc3ccccc3c3ccccc23)sc2ccccc12.[c-]1c(-c2nc3ccccc3c3ccccc23)sc2ccccc12.c1cnc2c(ccc3nccnc32)n1 |
TUCAN
C52H30IrN6S2/(1-44)(2-43)(3-37)(4-34)(5-57)(6-35)(7-68)(8-36)(9-41)(10-52)(11-56)(12-49)(13-38)(14-33)(15-48)(16-40)(17-67)(18-39)(19-54)(20-55)(21-50)(22-70)(23-69)(24-58)(25-42)(26-51)(27-47)(28-45)(29-53)(30-46)(31-60)(31-79)(32-61)(32-81)(33-44)(33-57)(34-38)(34-41)(35-39)(35-40)(36-39)(36-63)(37-41)(37-62)(38-74)(40-59)(42-55)(42-58)(43-56)(43-71)(44-80)(45-54)(45-75)(46-53)(46-66)(47-52)(47-53)(48-57)(48-60)(49-51)(49-54)(50-58)(50-61)(51-64)(52-65)(55-82)(56-77)(59-62)(59-63)(60-80)(61-82)(62-74)(63-73)(64-66)(64-75)(65-66)(65-76)(67-68)(67-87)(68-83)(69-70)(69-84)(70-86)(71-78)(71-87)(72-77)(72-78)(72-86)(73-79)(73-85)(74-85)(75-88)(76-81)(76-88)(77-84)(78-83)(79-89)(80-89)(81-90)(82-90)(85-91)(86-91)(87-91)(88-91)(89-91)(90-91)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 49 | 0.76 | 10.1016/j.jorganchem.2025.1237... | 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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