Info
| ID | 5887 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"N": 3} |
| Abbreviation | Ir10 |
| SMILES | C(=Nc1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccncc1.Cc1c(C)c(C)[c-](-c2ccccc2)c1C.[Cl-].[Cl-] |
TUCAN
C39H36IrN3/(1-41)(2-37)(3-44)(4-43)(5-37)(6-42)(7-49)(8-45)(9-46)(10-55)(11-37)(12-39)(13-39)(14-39)(15-47)(16-56)(17-50)(18-53)(19-71)(20-48)(21-51)(22-54)(23-58)(24-60)(25-38)(26-38)(27-59)(28-38)(29-61)(30-40)(31-40)(32-69)(33-52)(34-70)(35-40)(36-57)(37-65)(38-62)(39-67)(40-63)(41-43)(41-64)(42-43)(42-45)(44-45)(44-64)(46-48)(46-74)(47-51)(47-72)(48-73)(49-68)(49-69)(50-58)(50-72)(51-56)(52-53)(52-73)(53-74)(54-59)(54-75)(55-68)(55-70)(56-58)(57-61)(57-75)(59-60)(60-61)(62-63)(62-65)(63-67)(64-66)(65-66)(66-67)(68-71)(69-77)(70-77)(71-78)(72-76)(73-76)(74-78)(75-76)(77-79)(78-79)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 66 | — | 10.1021/acs.inorgchem.2c03333 | 2023 |
| HeLa | 67 | — | 10.1021/acs.inorgchem.2c03333 | 2023 |
| BEAS-2B | 78 | — | 10.1021/acs.inorgchem.2c03333 | 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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