Info
| ID | 4857 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"N": 2} |
| Abbreviation | Ir1a |
| SMILES | Cc1c(C)c(C)[c-](C)c1C.O=C([N-]c1ccccc1)c1ccccn1.[Cl-] |
TUCAN
C22H24IrN2O/(1-34)(2-33)(3-25)(4-25)(5-25)(6-26)(7-26)(8-26)(9-43)(10-31)(11-30)(12-36)(13-37)(14-32)(15-35)(16-27)(17-27)(18-27)(19-28)(20-28)(21-28)(22-29)(23-29)(24-29)(25-38)(26-39)(27-40)(28-41)(29-42)(30-35)(30-43)(31-35)(31-45)(32-34)(32-36)(33-34)(33-44)(36-37)(37-44)(38-39)(38-40)(39-41)(40-42)(41-42)(43-48)(44-47)(45-46)(45-48)(46-47)(46-49)(47-50)(48-50)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| BEAS-2B | 18 | — | 10.1039/d4qi01955e | 2024 |
| A549 | 51 | — | 10.1039/d4qi01955e | 2024 |
| NIH-3T3 | 62 | — | 10.1002/chem.202300842 | 2023 |
| A2780 | 66 | — | 10.1021/ic401529u | 2014 |
| NIH-3T3 | 71 | — | 10.1039/d4qi01955e | 2024 |
| NIH-3T3 | 1.1e+02 | — | 10.1016/j.jinorgbio.2022.11187... | 2022 |
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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