Info
| ID | 5555 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | OnIr2 |
| SMILES | Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.c1ccc2sc(-c3ccnc(-c4cc(-c5nc6ccccc6s5)ccn4)c3)nc2c1 |
| 3D Structure | ✓ Available (RDKit + xTB GFN2) |
TUCAN
C46H26F4IrN6S2/(1-34)(2-33)(3-39)(4-55)(5-38)(6-45)(7-47)(8-48)(9-36)(10-56)(11-43)(12-29)(13-57)(14-35)(15-30)(16-49)(17-40)(18-44)(19-41)(20-46)(21-32)(22-42)(23-31)(24-58)(25-50)(26-37)(27-36)(27-51)(28-50)(28-54)(29-33)(29-38)(30-44)(30-46)(31-52)(31-56)(32-37)(32-49)(33-63)(34-47)(34-69)(35-52)(35-61)(36-67)(37-64)(38-57)(39-53)(39-59)(40-41)(40-60)(41-47)(42-44)(42-70)(43-53)(43-55)(45-65)(45-67)(46-62)(48-66)(48-68)(49-58)(50-68)(51-63)(51-65)(52-71)(53-72)(54-64)(54-66)(55-73)(56-77)(57-75)(58-78)(59-61)(59-73)(60-69)(60-76)(61-77)(62-70)(62-74)(63-75)(64-78)(65-79)(66-80)(67-81)(68-82)(69-84)(70-83)(71-74)(71-83)(72-76)(72-84)(75-85)(76-85)(77-85)(78-85)(83-85)(84-85)
Measurements (23)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549cisR | 0.75 | — | 10.1039/C8SC01142G | 2018 |
| HeLa | 0.75 | — | 10.1039/C8SC01142G | 2018 |
| HCT-116 | 1.3 | — | 10.1039/C8SC01142G | 2018 |
| NCI-H460 | 1.3 | — | 10.1039/C8SC01142G | 2018 |
| KB-3-1 | 1.4 | — | 10.1039/C8SC01142G | 2018 |
| H460/MX20 | 1.4 | — | 10.1039/C8SC01142G | 2018 |
| KB-CV60 | 1.6 | — | 10.1039/C8SC01142G | 2018 |
| BEL-7404 | 1.6 | — | 10.1039/C8SC01142G | 2018 |
| KCP4 | 1.7 | — | 10.1039/C8SC01142G | 2018 |
| SW620 | 1.8 | — | 10.1039/C8SC01142G | 2018 |
| KB-C2 | 1.8 | — | 10.1039/C8SC01142G | 2018 |
| HepG2 | 1.8 | — | 10.1039/C8SC01142G | 2018 |
| KB/ATO | 1.9 | — | 10.1039/C8SC01142G | 2018 |
| MCF-7 | 1.9 | — | 10.1039/C8SC01142G | 2018 |
| MCF-7/DOX | 1.9 | — | 10.1039/C8SC01142G | 2018 |
| BEL-7404R | 2.2 | — | 10.1039/C8SC01142G | 2018 |
| BEL-7402 | 2.4 | — | 10.1039/C8SC01142G | 2018 |
| SK-OV-3 | 2.5 | — | 10.1039/C8SC01142G | 2018 |
| A549 | 2.9 | — | 10.1039/C8SC01142G | 2018 |
| SKOV/Pt | 2.9 | — | 10.1039/C8SC01142G | 2018 |
| HEK293 | 3.4 | — | 10.1039/C8SC01142G | 2018 |
| SW620/AD300 | 7.4 | — | 10.1039/C8SC01142G | 2018 |
| HL-7702 | 8.9 | — | 10.1039/C8SC01142G | 2018 |
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.
🔬 3D Structure (xTB GFN2)