Info
| ID | 5983 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ir1 |
| SMILES | O=C(CCC(=O)Nc1cc2cccnc2c2ncccc12)NCCc1ccccc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C46H38IrN6O2/(1-45)(2-43)(3-41)(4-73)(5-57)(6-64)(7-42)(8-44)(9-75)(10-59)(11-63)(12-48)(13-65)(14-77)(15-65)(16-52)(17-56)(18-66)(19-66)(20-61)(21-60)(22-76)(23-54)(24-77)(25-51)(26-47)(27-53)(28-49)(29-67)(30-74)(31-62)(32-55)(33-58)(34-50)(35-46)(36-67)(37-85)(38-86)(39-59)(39-68)(40-63)(40-71)(41-43)(41-48)(42-44)(42-79)(43-59)(44-45)(45-73)(46-49)(46-57)(47-58)(47-64)(48-68)(49-71)(50-51)(50-53)(51-52)(52-70)(53-55)(54-62)(54-69)(55-70)(56-61)(56-74)(57-63)(58-81)(60-72)(60-82)(61-72)(62-76)(64-75)(65-70)(65-77)(66-67)(66-83)(67-84)(68-79)(69-78)(69-82)(71-81)(72-80)(73-87)(74-90)(75-88)(76-89)(77-86)(78-80)(78-89)(79-87)(80-90)(81-88)(82-85)(83-85)(83-91)(84-86)(84-92)(87-93)(88-93)(89-93)(90-93)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| SCC1 | 14 | 0.12 | 10.1016/j.cej.2023.145516 | 2023 |
| CAL33 | 20 | 0.66 | 10.1016/j.cej.2023.145516 | 2023 |
| HSC6 | 33 | 0.68 | 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.
Loading source metadata…
The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.