Info
| ID | 5164 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 3} |
| Abbreviation | 3 |
| SMILES | C(=N/c1ccc(N(c2ccccc2)c2ccccc2)cc1)\c1ccccn1.Cc1c(C)c(C)[c-](C)c1C.[Cl-] |
TUCAN
C34H34IrN3/(1-35)(2-35)(3-35)(4-36)(5-36)(6-36)(7-43)(8-42)(9-47)(10-37)(11-48)(12-44)(13-40)(14-37)(15-62)(16-37)(17-38)(18-45)(19-49)(20-55)(21-63)(22-54)(23-46)(24-41)(25-51)(26-38)(27-38)(28-50)(29-39)(30-52)(31-39)(32-53)(33-39)(34-56)(35-57)(36-58)(37-59)(38-60)(39-61)(40-42)(40-67)(41-45)(41-46)(42-66)(43-47)(43-62)(44-45)(44-65)(46-49)(47-48)(48-64)(49-65)(50-51)(50-68)(51-52)(52-53)(53-56)(54-55)(54-66)(55-67)(56-68)(57-58)(57-59)(58-60)(59-61)(60-61)(62-70)(63-64)(63-71)(64-70)(65-69)(66-69)(67-71)(68-69)(70-72)(71-72)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| BEAS-2B | 6.9 | — | 10.1039/c9qi01161g | 2020 |
| A549 | 7.7 | — | 10.1039/c9qi01161g | 2020 |
| HeLa | 8.2 | — | 10.1039/c9qi01161g | 2020 |
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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