Info
| ID | 5296 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 4} |
| Abbreviation | Ir3 |
| SMILES | CCCC[n+]1[c-]n(Cn2[c-][n+](CCCC)cc2)cc1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1 |
TUCAN
C45H44IrN6/(1-57)(2-63)(3-52)(4-58)(5-56)(6-49)(7-55)(8-66)(9-89)(10-89)(11-69)(12-69)(13-77)(14-79)(15-78)(16-80)(17-45)(18-81)(19-81)(20-82)(21-82)(22-70)(23-45)(24-45)(25-70)(26-53)(27-51)(28-64)(29-65)(30-60)(31-54)(32-68)(33-72)(34-46)(35-46)(36-71)(37-67)(38-61)(39-50)(40-59)(41-62)(42-72)(43-46)(44-71)(45-70)(46-71)(47-53)(47-74)(48-54)(48-76)(49-53)(49-63)(50-54)(50-65)(51-52)(51-66)(52-56)(55-57)(55-83)(56-73)(57-73)(58-63)(58-74)(59-64)(59-75)(60-67)(60-75)(61-65)(61-76)(62-67)(62-68)(64-85)(66-84)(68-86)(69-70)(69-81)(71-72)(72-82)(73-84)(74-83)(75-86)(76-85)(77-78)(77-91)(78-90)(79-80)(79-92)(80-93)(81-90)(82-93)(83-94)(84-94)(85-95)(86-95)(87-90)(87-91)(88-92)(88-93)(89-91)(89-92)(94-96)(95-96)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| LO2 | 1.1 | 0.17 | 10.1039/C7DT01903C | 2017 |
| A549 | 1.2 | 0.011 | 10.1039/C7DT01903C | 2017 |
| U-87 MG | 1.4 | 0.069 | 10.1039/C7DT01903C | 2017 |
| A549cisR | 1.5 | 0.0036 | 10.1039/C7DT01903C | 2017 |
| HeLa | 1.6 | 0.11 | 10.1039/C7DT01903C | 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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