Info
| ID | 5828 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"N": 2} |
| Abbreviation | 2 |
| SMILES | Cc1c(C)c(C)[c-](-c2ccccc2)c1C.Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H]([NH-])c2ccccc2)cc1 |
TUCAN
C36H37IrN2O2S/(1-56)(2-71)(3-44)(4-53)(5-55)(6-45)(7-48)(8-39)(9-39)(10-39)(11-49)(12-54)(13-42)(14-43)(15-61)(16-60)(17-58)(18-52)(19-59)(20-72)(21-42)(22-46)(23-57)(24-42)(25-50)(26-38)(27-38)(28-41)(29-38)(30-40)(31-40)(32-40)(33-41)(34-41)(35-47)(36-51)(37-74)(38-65)(39-68)(40-66)(41-69)(42-70)(43-46)(43-58)(44-45)(44-56)(45-53)(46-52)(47-48)(47-63)(48-49)(49-50)(50-51)(51-63)(52-59)(53-57)(54-55)(54-70)(55-73)(56-62)(57-62)(58-67)(59-67)(60-61)(60-73)(61-70)(62-71)(63-64)(64-65)(64-66)(65-68)(66-69)(67-72)(68-69)(71-72)(71-75)(72-74)(73-78)(74-79)(75-78)(75-79)(76-78)(77-78)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780 | 14 | — | 10.1002/cctc.202401490 | 2024 |
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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