Info
| ID | 4863 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | [Ir(dfpp)2(picCOOH)]+ |
| SMILES | Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(O)c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 |
TUCAN
C42H24F4IrN6O2/(1-30)(2-27)(3-32)(4-29)(5-31)(6-38)(7-35)(8-51)(9-44)(10-33)(11-37)(12-42)(13-34)(14-40)(15-54)(16-36)(17-53)(18-41)(19-28)(20-43)(21-39)(22-52)(23-68)(24-74)(25-42)(25-46)(26-43)(26-50)(27-31)(27-38)(28-32)(28-53)(29-33)(29-45)(30-63)(30-64)(31-55)(32-49)(33-48)(34-65)(34-66)(35-36)(35-47)(36-54)(37-39)(37-48)(38-51)(39-45)(40-41)(40-44)(41-52)(42-63)(43-66)(44-60)(45-62)(46-55)(46-64)(47-57)(47-58)(48-61)(49-56)(49-59)(50-60)(50-65)(51-69)(52-72)(53-71)(54-67)(55-69)(56-57)(56-70)(57-68)(58-59)(58-67)(59-71)(60-72)(61-68)(61-70)(62-73)(62-74)(63-75)(64-76)(65-78)(66-77)(69-79)(70-79)(71-79)(72-79)(74-79)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| SP2 | 85 | — | 10.1016/j.jinorgbio.2012.11.00... | 2013 |
| CHO | 88 | — | 10.1016/j.jinorgbio.2012.11.00... | 2013 |
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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