Info
| ID | 5396 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 2} |
| Abbreviation | 1 |
| SMILES | C/C(=N\C12CC3CC(CC(C3)C1)C2)c1ccccn1.Cc1c(C)c(C)[c-](C)c1C.[Cl-] |
TUCAN
C27H37IrN2/(1-38)(2-38)(3-38)(4-39)(5-39)(6-39)(7-40)(8-40)(9-40)(10-41)(11-49)(12-58)(13-47)(14-49)(15-51)(16-47)(17-59)(18-48)(19-48)(20-50)(21-43)(22-51)(23-52)(24-60)(25-52)(26-43)(27-43)(28-50)(29-41)(30-41)(31-45)(32-42)(33-61)(34-42)(35-44)(36-42)(37-46)(38-53)(39-54)(40-55)(41-56)(42-57)(43-63)(44-45)(44-61)(45-46)(46-62)(47-58)(47-64)(48-59)(48-64)(49-58)(49-59)(50-60)(50-64)(51-58)(51-60)(52-59)(52-60)(53-54)(53-55)(54-56)(55-57)(56-57)(61-65)(62-63)(62-65)(63-66)(64-66)(65-67)(66-67)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | — | — | 10.1007/s00775-018-1578-0 | 2018 |
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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