Info
| ID | 6063 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"N": 3, "O": 1} |
| Abbreviation | Ir5 |
| SMILES | O=Cc1c[c-]c(-c2ccccn2)cc1.O=Cc1c[c-]c(-c2ccccn2)cc1.O=c1cc(C(F)(F)F)c2ccc(/N=C/c3ccccc3[O-])cc2o1 |
TUCAN
C41H25F3IrN3O5/(1-38)(2-32)(3-34)(4-42)(5-61)(6-30)(7-39)(8-43)(9-31)(10-41)(11-37)(12-40)(13-29)(14-44)(15-46)(16-28)(17-47)(18-55)(19-33)(20-56)(21-35)(22-57)(23-62)(24-45)(25-36)(26-37)(26-49)(27-47)(27-54)(28-35)(28-46)(29-35)(29-52)(30-41)(30-59)(31-32)(31-49)(32-48)(33-45)(33-60)(34-41)(34-55)(36-45)(36-57)(37-48)(38-43)(38-58)(39-40)(39-50)(40-54)(42-51)(42-65)(43-53)(44-58)(44-63)(46-64)(47-50)(48-61)(49-59)(50-62)(51-53)(51-66)(52-56)(52-64)(53-63)(54-60)(55-67)(56-68)(57-69)(58-68)(59-67)(60-69)(61-72)(62-73)(63-74)(64-70)(65-71)(65-74)(66-75)(66-76)(66-77)(67-78)(68-78)(69-78)(74-78)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 21 | — | 10.3389/fchem.2022.906954 | 2022 |
| BEAS-2B | 83 | — | 10.3389/fchem.2022.906954 | 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.
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