Info
| ID | 5291 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | 1 |
| SMILES | COc1ccc2cc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)c(SC)nc2c1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C48H36IrN6OS/(1-40)(2-83)(3-46)(4-49)(5-42)(6-48)(7-57)(8-43)(9-39)(10-52)(11-47)(12-63)(13-70)(14-45)(15-81)(16-60)(17-81)(18-81)(19-54)(20-50)(21-55)(22-61)(23-83)(24-44)(25-72)(26-71)(27-58)(28-64)(29-53)(30-51)(31-73)(32-83)(33-59)(34-56)(35-41)(36-62)(37-48)(37-65)(38-63)(38-68)(39-40)(39-42)(40-70)(41-47)(41-71)(42-74)(43-47)(43-77)(44-45)(44-46)(45-48)(46-65)(49-75)(49-82)(50-51)(50-78)(51-55)(52-56)(52-61)(53-67)(53-79)(54-66)(54-69)(55-73)(56-72)(57-67)(57-76)(58-62)(58-68)(59-62)(59-63)(60-64)(60-82)(61-80)(64-66)(65-74)(66-75)(67-69)(68-77)(69-84)(70-87)(71-88)(72-85)(73-90)(74-87)(75-86)(76-80)(76-89)(77-88)(78-79)(78-90)(79-89)(80-85)(81-91)(82-91)(83-92)(84-86)(84-92)(87-93)(88-93)(89-93)(90-93)(91-93)(92-93)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 3.5 | — | 10.1039/C7DT01015J | 2017 |
| MDA-MB-231 | 35 | — | 10.1039/C7DT01015J | 2017 |
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.