Info
| ID | 5342 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"P": 1, "O": 1} |
| Abbreviation | 5 |
| SMILES | COc1cccc(OC)c1-c1ccccc1P(c1ccccc1)c1ccccc1S(=O)(=O)[O-].Cc1c(C)c(C)[c-](C)c1C.[Cl-] |
TUCAN
C36H37IrO5PS/(1-38)(2-38)(3-38)(4-43)(5-53)(6-44)(7-39)(8-39)(9-39)(10-48)(11-54)(12-47)(13-40)(14-40)(15-40)(16-46)(17-51)(18-55)(19-52)(20-49)(21-41)(22-45)(23-50)(24-41)(25-41)(26-42)(27-42)(28-42)(29-56)(30-66)(31-66)(32-66)(33-67)(34-58)(35-67)(36-67)(37-57)(38-59)(39-60)(40-61)(41-62)(42-63)(43-44)(43-49)(44-71)(45-47)(45-50)(46-49)(46-73)(47-48)(48-70)(50-51)(51-70)(52-53)(52-72)(53-54)(54-55)(55-64)(56-57)(56-68)(57-58)(58-69)(59-60)(59-61)(60-62)(61-63)(62-63)(64-65)(64-72)(65-68)(65-69)(66-77)(67-78)(68-77)(69-78)(70-79)(71-73)(71-79)(72-79)(73-80)(74-80)(75-80)(76-80)(77-81)(78-81)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 11 | — | 10.1016/j.dyepig.2018.11.009 | 2019 |
| A549 | 12 | — | 10.1016/j.dyepig.2018.11.009 | 2019 |
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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