Info
| ID | 5884 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"N": 2} |
| Abbreviation | Ir7 |
| SMILES | COc1ccc(N(c2ccc(C=Cc3ccncc3)cc2)c2ccc(OC)cc2)cc1.Cc1c(C)c(C)[c-](C)c1C.[Cl-].[Cl-] |
TUCAN
C37H39IrN2O2/(1-40)(2-40)(3-40)(4-41)(5-41)(6-41)(7-51)(8-52)(9-49)(10-48)(11-73)(12-42)(13-42)(14-42)(15-73)(16-46)(17-73)(18-43)(19-53)(20-43)(21-43)(22-44)(23-50)(24-45)(25-56)(26-57)(27-60)(28-74)(29-74)(30-58)(31-59)(32-74)(33-47)(34-44)(35-44)(36-54)(37-68)(38-69)(39-55)(40-61)(41-62)(42-63)(43-64)(44-65)(45-53)(45-76)(46-51)(46-70)(47-66)(47-69)(48-49)(48-72)(49-67)(50-52)(50-70)(51-75)(52-75)(53-71)(54-66)(54-68)(55-56)(55-66)(56-67)(57-60)(57-67)(58-59)(58-71)(59-76)(60-72)(61-62)(61-63)(62-64)(63-65)(64-65)(68-78)(69-78)(70-77)(71-77)(72-77)(73-79)(74-80)(75-79)(76-80)(78-81)(80-81)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 37 | — | 10.1021/acs.inorgchem.2c03333 | 2023 |
| BEAS-2B | 66 | — | 10.1021/acs.inorgchem.2c03333 | 2023 |
| HeLa | 86 | — | 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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