Info
| ID | 5262 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 2} |
| Abbreviation | 4A |
| SMILES | CC(C)c1cccc(C(C)C)c1/N=C/c1ccc2ccccc2n1.Cc1c(C)c(C)[c-](C)c1C.[Cl-] |
TUCAN
C32H39IrN2/(1-49)(2-40)(3-50)(4-40)(5-40)(6-41)(7-51)(8-52)(9-41)(10-41)(11-42)(12-42)(13-42)(14-43)(15-43)(16-45)(17-45)(18-45)(19-46)(20-56)(21-46)(22-55)(23-46)(24-47)(25-47)(26-57)(27-47)(28-66)(29-48)(30-67)(31-53)(32-43)(33-44)(34-48)(35-44)(36-54)(37-68)(38-44)(39-48)(40-58)(41-59)(42-60)(43-61)(44-62)(45-66)(46-66)(47-67)(48-67)(49-50)(49-69)(50-51)(51-52)(52-63)(53-54)(53-63)(54-70)(55-56)(55-57)(56-64)(57-65)(58-59)(58-60)(59-61)(60-62)(61-62)(63-69)(64-66)(64-71)(65-67)(65-71)(68-70)(68-73)(69-72)(70-72)(71-73)(72-74)(73-74)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 6.7 | — | 10.1039/C7DT03265J | 2017 |
| A549 | 15 | — | 10.1039/C7DT03265J | 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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