Info
| ID | 5038 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ir3 |
| SMILES | Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 |
TUCAN
C40H22F4IrN6/(1-36)(2-37)(3-25)(4-32)(5-27)(6-31)(7-29)(8-47)(9-48)(10-42)(11-40)(12-38)(13-30)(14-41)(15-35)(16-39)(17-49)(18-26)(19-33)(20-28)(21-34)(22-50)(23-30)(23-43)(24-34)(24-46)(25-29)(25-31)(26-32)(26-49)(27-33)(27-53)(28-33)(28-40)(29-48)(30-61)(31-54)(32-45)(34-62)(35-39)(35-42)(36-38)(36-47)(37-59)(37-61)(38-44)(39-50)(40-55)(41-60)(41-62)(42-58)(43-54)(43-59)(44-52)(44-57)(45-51)(45-56)(46-58)(46-60)(47-64)(48-66)(49-67)(50-68)(51-52)(51-65)(52-63)(53-55)(53-63)(54-66)(55-65)(56-57)(56-67)(57-64)(58-68)(59-69)(60-70)(61-71)(62-72)(65-73)(66-73)(67-73)(68-73)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 0.15 | — | 10.1021/acs.jmedchem.8b01704 | 2019 |
| A549 | 0.35 | — | 10.1021/acs.jmedchem.8b01704 | 2019 |
| A549cisR | 0.43 | — | 10.1021/acs.jmedchem.8b01704 | 2019 |
| PC-3 | 0.76 | — | 10.1021/acs.jmedchem.8b01704 | 2019 |
| HepG2 | 1.9 | — | 10.1021/acs.jmedchem.8b01704 | 2019 |
| HLF | 5.3 | — | 10.1021/acs.jmedchem.8b01704 | 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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The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.