Info
| ID | 5588 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | Ir3 |
| SMILES | [c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc2nc(-c3nc4ccccc4[nH]3)ccc2c1 |
TUCAN
C38H27IrN5/(1-34)(2-35)(3-38)(4-47)(5-40)(6-30)(7-50)(8-33)(9-57)(10-49)(11-58)(12-36)(13-41)(14-48)(15-31)(16-39)(17-43)(18-44)(19-45)(20-32)(21-37)(22-52)(23-46)(24-51)(25-42)(26-53)(27-66)(28-34)(28-55)(29-49)(29-56)(30-36)(30-37)(31-38)(31-62)(32-43)(32-60)(33-38)(33-45)(34-40)(35-40)(35-41)(36-63)(37-57)(39-47)(39-54)(41-55)(42-53)(42-56)(43-44)(44-46)(45-54)(46-59)(47-61)(48-51)(48-52)(49-50)(50-53)(51-58)(52-64)(54-62)(55-63)(56-64)(57-67)(58-68)(59-60)(59-66)(60-69)(61-65)(61-70)(62-70)(63-67)(64-68)(65-66)(65-69)(67-71)(68-71)(69-71)(70-71)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | — | 0.5 | 10.1021/acsami.7b10258 | 2017 |
| A549 | — | 0.73 | 10.1021/acsami.7b10258 | 2017 |
| A549cisR | — | 1.2 | 10.1021/acsami.7b10258 | 2017 |
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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