Info
| ID | 5984 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ir2 |
| SMILES | Fc1[c-]c(-c2ccccn2)cc(F)c1.Fc1[c-]c(-c2ccccn2)cc(F)c1.O=C(CCC(=O)Nc1cc2cccnc2c2ncccc12)NCCc1ccccc1 |
TUCAN
C46H34F4IrN6O2/(1-47)(2-45)(3-42)(4-59)(5-69)(6-66)(7-38)(8-51)(9-67)(10-41)(11-46)(12-37)(13-56)(14-59)(15-52)(16-65)(17-49)(18-40)(19-39)(20-58)(21-48)(22-44)(23-50)(24-69)(25-57)(26-57)(27-58)(28-43)(29-54)(30-53)(31-68)(32-55)(33-81)(34-82)(35-63)(35-79)(36-64)(36-80)(37-45)(37-61)(38-46)(38-62)(39-63)(39-77)(40-42)(40-67)(41-77)(41-79)(42-51)(43-50)(43-66)(44-49)(44-62)(45-65)(46-47)(47-49)(48-61)(48-73)(50-60)(51-71)(52-78)(52-80)(53-55)(53-68)(54-64)(54-78)(55-56)(56-74)(57-59)(57-75)(58-62)(58-69)(59-76)(60-70)(60-73)(61-72)(63-71)(64-74)(65-83)(66-85)(67-84)(68-86)(69-81)(70-72)(70-85)(71-84)(72-83)(73-82)(74-86)(75-82)(75-88)(76-81)(76-87)(77-89)(78-90)(79-91)(80-92)(83-93)(84-93)(85-93)(86-93)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| SCC1 | 13 | 0.3 | 10.1016/j.cej.2023.145516 | 2023 |
| CAL33 | 16 | 1.1 | 10.1016/j.cej.2023.145516 | 2023 |
| HSC6 | 27 | 1.1 | 10.1016/j.cej.2023.145516 | 2023 |
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.