Info
| ID | 4873 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ir2 |
| SMILES | [c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1c[nH]c(-c2ncc[nH]2)n1 |
TUCAN
C28H22IrN6/(1-32)(2-43)(3-34)(4-33)(5-42)(6-35)(7-37)(8-28)(9-27)(10-26)(11-25)(12-38)(13-31)(14-41)(15-45)(16-46)(17-44)(18-36)(19-30)(20-29)(21-51)(22-52)(23-28)(23-39)(24-38)(24-40)(25-32)(25-33)(26-34)(26-47)(27-34)(27-43)(28-32)(29-35)(29-36)(30-37)(30-44)(31-37)(31-48)(33-39)(35-38)(36-40)(39-47)(40-48)(41-42)(41-51)(42-55)(43-53)(44-54)(45-46)(45-52)(46-56)(47-53)(48-54)(49-50)(49-51)(49-55)(50-52)(50-56)(53-57)(54-57)(55-57)(56-57)
Measurements (10)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MDA-MB-231 | 2.1 | — | 10.1039/C8SC04520H | 2019 |
| HeLa | 3 | — | 10.1039/C8SC04520H | 2019 |
| A549 | 3.6 | — | 10.1039/C8SC04520H | 2019 |
| LO2 | 5.9 | — | 10.1039/C8SC04520H | 2019 |
| HepG2 | 6.7 | — | 10.1039/C8SC04520H | 2019 |
| A549cisR | 8.5 | — | 10.1039/C8SC04520H | 2019 |
| A549 | — | — | 10.1016/j.jinorgbio.2022.11180... | 2022 |
| HepG2 | — | — | 10.1016/j.jinorgbio.2022.11180... | 2022 |
| HLF | — | — | 10.1016/j.jinorgbio.2022.11180... | 2022 |
| LO2 | — | — | 10.1016/j.jinorgbio.2022.11180... | 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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