Info
| ID | 5348 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 4} |
| Abbreviation | Ir1 |
| SMILES | C/C(=N\c1c(C)cccc1C)[n+]1[c-]n(C)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C36H33IrN5/(1-46)(2-61)(3-39)(4-54)(5-40)(6-64)(7-42)(8-51)(9-49)(10-35)(11-35)(12-34)(13-34)(14-34)(15-60)(16-60)(17-47)(18-41)(19-48)(20-50)(21-36)(22-43)(23-35)(24-45)(25-62)(26-52)(27-63)(28-53)(29-55)(30-36)(31-44)(32-36)(33-60)(34-57)(35-69)(36-59)(37-39)(37-56)(38-41)(38-58)(39-40)(40-46)(41-51)(42-53)(42-65)(43-44)(43-57)(44-45)(45-59)(46-49)(47-55)(47-67)(48-53)(48-61)(49-56)(50-55)(50-63)(51-54)(52-54)(52-58)(56-65)(57-66)(58-67)(59-66)(60-71)(61-73)(62-64)(62-71)(63-74)(64-70)(65-73)(66-72)(67-74)(68-70)(68-71)(69-70)(69-72)(72-75)(73-75)(74-75)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 5 | — | 10.1016/j.dyepig.2018.09.044 | 2019 |
| BEAS-2B | 6.3 | — | 10.1016/j.dyepig.2018.09.044 | 2019 |
| HeLa | 7.3 | — | 10.1016/j.dyepig.2018.09.044 | 2019 |
| 16HBE | 7.5 | — | 10.1016/j.dyepig.2018.09.044 | 2019 |
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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