Info
| ID | 5623 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 4} |
| Abbreviation | NHC-Ir(III) |
| SMILES | [c-]1ccccc1-c1nc2ccccc2s1.[c-]1ccccc1-c1nc2ccccc2s1.[c-]1n(-c2ccccn2)cc2cccc[n+]12 |
TUCAN
C38H25IrN5S2/(1-28)(2-30)(3-44)(4-46)(5-49)(6-52)(7-41)(8-35)(9-36)(10-38)(11-31)(12-32)(13-45)(14-34)(15-43)(16-53)(17-29)(18-54)(19-39)(20-37)(21-47)(22-48)(23-33)(24-40)(25-42)(26-33)(26-51)(27-49)(27-50)(28-36)(28-37)(29-39)(29-55)(30-38)(30-47)(31-44)(31-56)(32-39)(32-46)(33-40)(34-40)(34-41)(35-42)(35-43)(36-49)(37-50)(38-59)(41-51)(42-60)(43-48)(44-45)(45-52)(46-61)(47-53)(48-57)(50-62)(51-63)(52-64)(53-68)(54-56)(54-65)(55-61)(55-66)(56-64)(57-60)(57-67)(58-64)(58-65)(59-65)(59-68)(60-70)(61-69)(62-66)(62-69)(63-67)(63-70)(66-71)(67-71)(68-71)(70-71)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| 3731 | 0.8 | — | 10.1016/j.cbi.2022.110167 | 2022 |
| NCH644 | 1.3 | — | 10.1016/j.cbi.2022.110167 | 2022 |
| NCH421K | 1.8 | — | 10.1016/j.cbi.2022.110167 | 2022 |
| DPSC | 6.9 | — | 10.1016/j.cbi.2022.110167 | 2022 |
| U-87 MG | 10 | — | 10.1016/j.cbi.2022.110167 | 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.
Loading source metadata…
The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.