Info
| ID | 5518 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | 4 |
| SMILES | Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.O=C(CCCCCCC(=O)Nc1cc2cccnc2c2ncccc12)NO |
TUCAN
C42H34F4IrN6O3/(1-45)(2-52)(3-46)(4-56)(5-38)(6-55)(7-47)(8-37)(9-54)(10-48)(11-40)(12-53)(13-52)(14-64)(15-54)(16-57)(17-44)(18-55)(19-62)(20-43)(21-56)(22-57)(23-42)(24-41)(25-53)(26-63)(27-65)(28-39)(29-50)(30-49)(31-51)(32-77)(33-78)(34-85)(35-47)(35-58)(36-48)(36-61)(37-45)(37-63)(38-40)(38-62)(39-50)(39-65)(40-46)(41-73)(41-74)(42-44)(42-59)(43-59)(43-68)(44-64)(45-60)(46-66)(47-73)(48-75)(49-50)(49-70)(51-75)(51-76)(52-54)(52-55)(53-55)(53-71)(54-57)(56-57)(56-72)(58-66)(58-74)(59-69)(60-67)(60-68)(61-70)(61-76)(62-81)(63-79)(64-80)(65-82)(66-81)(67-69)(67-79)(68-77)(69-80)(70-82)(71-77)(71-84)(72-78)(72-83)(73-87)(74-86)(75-88)(76-89)(78-85)(79-90)(80-90)(81-90)(82-90)(85-90)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 30 | 11 | 10.1039/C4CC05215C | 2014 |
| LO2 | 43 | 29 | 10.1039/C4CC05215C | 2014 |
| A549cisR | 49 | 4.6 | 10.1039/C4CC05215C | 2014 |
| A549 | 89 | 11 | 10.1039/C4CC05215C | 2014 |
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.