Info
| ID | 4884 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ir3 |
| SMILES | FC(F)(F)c1ccc(-c2ccc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)cc2)cc1.[c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12 |
TUCAN
C56H35F3IrN6/(1-39)(2-49)(3-46)(4-42)(5-81)(6-38)(7-50)(8-51)(9-47)(10-41)(11-43)(12-55)(13-60)(14-59)(15-80)(16-67)(17-53)(18-82)(19-52)(20-63)(21-54)(22-64)(23-61)(24-56)(25-65)(26-83)(27-58)(28-40)(29-45)(30-48)(31-66)(32-57)(33-62)(34-44)(35-93)(36-49)(36-70)(37-51)(37-77)(38-43)(38-70)(39-46)(39-68)(40-52)(40-77)(41-43)(41-49)(42-46)(42-50)(44-53)(44-71)(45-51)(45-52)(47-69)(47-81)(48-72)(48-82)(50-69)(53-58)(54-57)(54-74)(55-61)(55-75)(56-60)(56-79)(57-80)(58-63)(59-65)(59-83)(60-76)(61-78)(62-67)(62-79)(63-72)(64-66)(64-75)(65-73)(66-78)(67-76)(68-69)(68-84)(70-84)(71-72)(71-89)(73-87)(73-88)(74-85)(74-86)(75-79)(76-90)(77-89)(78-91)(80-92)(81-96)(82-97)(83-95)(84-96)(85-87)(85-92)(86-88)(86-93)(87-95)(88-94)(89-97)(90-93)(90-94)(91-98)(91-99)(91-100)(94-101)(95-101)(96-101)(97-101)
Measurements (7)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | — | — | 10.1016/j.jinorgbio.2021.11170... | 2022 |
| HepG2 | — | — | 10.1016/j.jinorgbio.2021.11170... | 2022 |
| BEL-7402 | — | — | 10.1016/j.jinorgbio.2021.11170... | 2022 |
| B16 | — | — | 10.1016/j.jinorgbio.2021.11170... | 2022 |
| HeLa | — | — | 10.1016/j.jinorgbio.2021.11170... | 2022 |
| SGC-7901 | — | — | 10.1016/j.jinorgbio.2021.11170... | 2022 |
| LO2 | — | — | 10.1016/j.jinorgbio.2021.11170... | 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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