Info
| ID | 5797 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 4, "O": 2} |
| Abbreviation | Cym-Ir-EDB |
| SMILES | Cc1ccnc(-c2cc(COC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccn2)c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C41H30IrN6O6/(1-31)(2-36)(3-39)(4-34)(5-60)(6-45)(7-35)(8-37)(9-41)(10-40)(11-38)(12-62)(13-47)(14-31)(15-43)(16-53)(17-70)(18-49)(19-44)(20-51)(21-50)(22-42)(23-31)(24-63)(25-70)(26-54)(27-61)(28-52)(29-48)(30-46)(31-57)(32-39)(32-55)(33-52)(33-56)(34-35)(34-47)(35-55)(36-38)(36-60)(37-38)(37-64)(39-47)(40-42)(40-62)(41-45)(41-56)(42-46)(43-57)(43-63)(44-57)(44-69)(45-51)(46-68)(48-65)(48-66)(49-54)(49-65)(50-59)(50-61)(51-52)(53-59)(53-67)(54-58)(55-64)(56-68)(58-66)(58-71)(59-70)(60-74)(61-75)(62-76)(63-77)(64-74)(65-73)(66-72)(67-69)(67-75)(68-76)(69-77)(70-83)(71-78)(71-83)(72-80)(72-82)(73-79)(73-81)(74-84)(75-84)(76-84)(77-84)(83-84)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| LO2 | — | — | 10.1016/j.talanta.2025.128021 | 2025 |
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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