Info
| ID | 4963 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | Ir4 |
| SMILES | FC(F)(F)c1cc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc(C(F)(F)F)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C45H29F6IrN5/(1-63)(2-38)(3-32)(4-40)(5-53)(6-36)(7-51)(8-37)(9-54)(10-65)(11-34)(12-44)(13-33)(14-47)(15-35)(16-46)(17-49)(18-50)(19-41)(20-42)(21-48)(22-56)(23-66)(24-52)(25-45)(26-64)(27-55)(28-43)(29-39)(30-36)(30-57)(31-37)(31-58)(32-38)(32-40)(33-46)(33-57)(34-39)(34-47)(35-48)(35-58)(36-54)(37-55)(38-63)(39-66)(40-67)(41-45)(41-65)(42-61)(42-70)(43-56)(43-69)(44-59)(44-60)(45-50)(46-54)(47-71)(48-55)(49-59)(49-62)(50-72)(51-56)(51-64)(52-61)(52-68)(53-60)(53-62)(57-67)(58-71)(59-61)(60-73)(62-74)(63-76)(64-75)(65-77)(66-78)(67-76)(68-72)(68-79)(69-70)(69-75)(70-79)(71-78)(72-77)(73-80)(73-81)(73-82)(74-83)(74-84)(74-85)(76-86)(77-86)(78-86)(79-86)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A431 | 1.5 | 0.1 | 10.1002/chem.202103346 | 2021 |
| A431 | 1.5 | 0.2 | 10.1002/chem.202103346 | 2021 |
| HeLa | 1.8 | 1.1 | 10.1002/chem.202103346 | 2021 |
| HeLa | 1.8 | 0.6 | 10.1002/chem.202103346 | 2021 |
| A375 | 2.6 | — | 10.1039/d3qi00841j | 2023 |
| A375 | 4.3 | — | 10.1039/d3qi00841j | 2023 |
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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