Info
| ID | 5909 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | [Ir(2-ppy)2(L)] |
| SMILES | C(=N/c1ccc(/N=N/c2ccccc2)cc1)\c1ccc2ccccc2n1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C44H32IrN6/(1-41)(2-42)(3-36)(4-67)(5-52)(6-40)(7-49)(8-51)(9-68)(10-60)(11-37)(12-48)(13-58)(14-62)(15-45)(16-50)(17-46)(18-53)(19-56)(20-43)(21-57)(22-35)(23-59)(24-69)(25-44)(26-55)(27-54)(28-63)(29-47)(30-38)(31-39)(32-61)(33-37)(33-65)(34-57)(34-66)(35-38)(35-67)(36-37)(36-40)(38-41)(39-42)(39-59)(40-52)(41-70)(42-74)(43-47)(43-48)(44-46)(44-62)(45-53)(45-76)(46-73)(47-49)(48-71)(49-64)(50-54)(50-75)(51-57)(51-58)(52-65)(53-75)(54-76)(55-61)(55-62)(56-63)(56-64)(58-60)(59-68)(60-66)(61-73)(63-72)(64-71)(65-70)(66-74)(67-79)(68-81)(69-72)(69-80)(70-79)(71-77)(72-77)(73-78)(74-81)(75-80)(76-82)(78-82)(79-83)(80-83)(81-83)(82-83)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | 9.2 | — | 10.1016/j.jorganchem.2024.1231... | 2024 |
| MDA-MB-231 | 45 | — | 10.1016/j.jorganchem.2024.1231... | 2024 |
| WRL68 | 53 | — | 10.1016/j.jorganchem.2024.1231... | 2024 |
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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