Info
| ID | 5104 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 8} |
| Abbreviation | Ir(III)-1 |
| SMILES | [c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1cnc2c(c1)c1nc3ccc(-c4ccc5nc6c(nc5c4)CCCC6)cc3nc1c1cccnc12 |
TUCAN
C52H36IrN8/(1-56)(2-75)(3-65)(4-49)(5-44)(6-43)(7-58)(8-55)(9-51)(10-50)(11-76)(12-48)(13-47)(14-53)(15-64)(16-64)(17-74)(18-65)(19-45)(20-66)(21-39)(22-52)(23-63)(24-73)(25-40)(26-63)(27-41)(28-66)(29-46)(30-61)(31-59)(32-57)(33-60)(34-42)(35-62)(36-54)(37-42)(37-67)(38-54)(38-72)(39-52)(39-80)(40-45)(40-68)(41-46)(41-83)(42-47)(43-47)(43-48)(44-56)(44-82)(45-73)(46-71)(48-67)(49-53)(49-70)(50-69)(50-85)(51-71)(51-87)(52-69)(53-74)(54-57)(55-56)(55-75)(57-62)(58-61)(58-88)(59-62)(59-72)(60-61)(60-76)(63-66)(63-81)(64-65)(64-66)(65-79)(67-82)(68-77)(68-86)(69-71)(70-78)(70-84)(72-88)(73-94)(74-89)(75-93)(76-96)(77-84)(77-94)(78-86)(78-90)(79-81)(79-91)(80-85)(80-95)(81-92)(82-93)(83-87)(83-92)(84-89)(85-90)(86-95)(87-91)(88-96)(93-97)(94-97)(95-97)(96-97)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| B16 | 1 | — | 10.1016/j.ejmech.2017.12.087 | 2018 |
| A549 | 1.4 | — | 10.1016/j.ejmech.2017.12.087 | 2018 |
| EC109 | 1.6 | — | 10.1016/j.ejmech.2017.12.087 | 2018 |
| NIH-3T3 | 69 | — | 10.1016/j.ejmech.2017.12.087 | 2018 |
| SGC-7901 | — | — | 10.1016/j.ejmech.2017.12.087 | 2018 |
| BEL-7402 | — | — | 10.1016/j.ejmech.2017.12.087 | 2018 |
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.