Info
| ID | 5386 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 4} |
| Abbreviation | 1a |
| SMILES | COC(=O)c1cc(-c2[c-]cccc2)nc2ccccc12.COC(=O)c1cc(-c2[c-]cccc2)nc2ccccc12.Cc1ccnc(-c2cc(C)ccn2)c1 |
TUCAN
C46H36IrN4O4/(1-37)(2-60)(3-52)(4-54)(5-50)(6-37)(7-49)(8-79)(9-55)(10-59)(11-37)(12-71)(13-38)(14-38)(15-42)(16-38)(17-41)(18-79)(19-51)(20-43)(21-45)(22-79)(23-58)(24-62)(25-61)(26-44)(27-47)(28-80)(29-72)(30-53)(31-80)(32-56)(33-46)(34-80)(35-48)(36-57)(37-63)(38-68)(39-41)(39-64)(40-45)(40-66)(41-49)(42-49)(42-50)(43-51)(43-53)(44-53)(44-75)(45-55)(46-55)(46-57)(47-56)(47-58)(48-56)(48-77)(50-64)(51-65)(52-63)(52-71)(54-68)(54-72)(57-66)(58-67)(59-69)(59-74)(60-63)(60-73)(61-68)(61-78)(62-70)(62-76)(64-74)(65-69)(65-75)(66-76)(67-70)(67-77)(69-81)(70-82)(71-85)(72-86)(73-78)(73-85)(74-83)(75-83)(76-84)(77-84)(78-86)(79-89)(80-90)(81-87)(81-89)(82-88)(82-90)(83-91)(84-91)(85-91)(86-91)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-7 | 2 | 0.3 | 10.1039/D1CC04982H | 2021 |
| U-87 MG | 3.1 | 0.2 | 10.1039/D1CC04982H | 2021 |
| HepG2 | 4.8 | 0.1 | 10.1039/D1CC04982H | 2021 |
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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The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.