Info
| ID | 5617 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"N": 4} |
| Abbreviation | Ir(dipy)-2 |
| SMILES | Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(CCl)Oc1ccc(/C(=C2\C=CC=N2)c2ccc[n-]2)cc1 |
TUCAN
C39H24ClF4IrN4O2/(1-34)(2-31)(3-35)(4-27)(5-43)(6-36)(7-33)(8-37)(9-40)(10-32)(11-50)(12-44)(13-49)(14-28)(15-38)(16-63)(17-29)(18-52)(19-41)(20-39)(21-30)(22-42)(23-63)(24-51)(25-40)(25-46)(26-44)(26-48)(27-29)(27-47)(28-31)(28-33)(29-57)(30-32)(30-57)(31-53)(32-47)(33-49)(34-35)(34-50)(35-54)(36-59)(36-60)(37-38)(37-56)(38-52)(39-42)(39-51)(40-60)(41-61)(41-62)(42-43)(43-55)(44-62)(45-47)(45-54)(45-56)(46-53)(46-59)(48-55)(48-61)(49-66)(50-64)(51-67)(52-65)(53-66)(54-64)(55-67)(56-65)(57-69)(58-63)(58-68)(58-69)(59-71)(60-70)(61-73)(62-72)(63-74)(64-75)(65-75)(66-75)(67-75)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| SK-Mel-103 | — | 0.11 | 10.1016/j.dyepig.2021.109886 | 2022 |
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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