Info
| ID | 4919 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | Ir1 |
| SMILES | Nc1cc2cccnc2c2ncccc12.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12 |
TUCAN
C42H29IrN5/(1-44)(2-47)(3-50)(4-38)(5-34)(6-36)(7-63)(8-46)(9-45)(10-52)(11-54)(12-41)(13-43)(14-51)(15-64)(16-32)(17-33)(18-37)(19-53)(20-40)(21-65)(22-48)(23-39)(24-35)(25-42)(26-49)(27-66)(28-72)(29-72)(30-47)(30-58)(31-53)(31-61)(32-36)(32-39)(33-34)(33-35)(34-38)(35-56)(36-58)(37-42)(37-48)(38-57)(39-47)(40-45)(40-49)(41-52)(41-55)(42-53)(43-54)(43-66)(44-56)(44-63)(45-46)(46-62)(48-61)(49-59)(50-59)(50-64)(51-60)(51-68)(52-65)(54-60)(55-68)(55-69)(56-57)(57-67)(58-67)(59-62)(60-71)(61-70)(62-70)(63-73)(64-75)(65-76)(66-74)(67-73)(68-72)(69-71)(69-76)(70-75)(71-74)(73-77)(74-77)(75-77)(76-77)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 1.1 | — | 10.1016/j.jinorgbio.2021.11145... | 2021 |
| HeLa | 1.9 | — | 10.1016/j.jinorgbio.2021.11145... | 2021 |
| LO2 | 2.3 | — | 10.1016/j.jinorgbio.2021.11145... | 2021 |
| A549cisR | 2.5 | — | 10.1016/j.jinorgbio.2021.11145... | 2021 |
| HepG2 | 3.2 | — | 10.1016/j.jinorgbio.2021.11145... | 2021 |
| MCF-7 | 4.8 | — | 10.1016/j.jinorgbio.2021.11145... | 2021 |
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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