Info
| ID | 5647 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 2} |
| Abbreviation | Ir5 |
| SMILES | CCC1(Nc2ccc(C)cc2)C(=Nc2ccc(C)cc2)c2cccc3cccc1c23.Cc1c(C)c(C)[c-](-c2ccccc2)c1C.[Cl-] |
TUCAN
C43ClIrN2/(1-13)(2-38)(3-28)(4-34)(5-39)(6-35)(7-36)(8-19)(8-29)(9-15)(9-16)(10-15)(10-17)(11-23)(11-40)(12-19)(12-37)(13-43)(14-18)(14-29)(16-33)(17-33)(18-20)(20-32)(21-26)(21-40)(22-24)(22-39)(23-38)(24-42)(25-27)(25-39)(26-38)(27-42)(28-30)(28-34)(29-31)(30-33)(30-36)(31-32)(31-37)(32-41)(34-35)(35-36)(37-43)(40-44)(41-43)(41-44)(42-45)(43-45)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 13 | — | 10.1021/acs.inorgchem.3c02118 | 2023 |
| HeLa | 15 | — | 10.1021/acs.inorgchem.3c02118 | 2023 |
| 4T1 | 16 | — | 10.1021/acs.inorgchem.3c02118 | 2023 |
| BEAS-2B | 21 | — | 10.1021/acs.inorgchem.3c02118 | 2023 |
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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