Info
| ID | 5762 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 3 |
| Donor atoms | {"N": 5} |
| Abbreviation | IrF |
| SMILES | CC[n+]1ccc(-c2ccc(N(c3ccc(-c4cc[n+](CC)cc4)cc3)c3ccc(-c4ccc(-c5ccccn5)nc4)cc3)cc2)cc1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1 |
TUCAN
C64H49F4IrN7/(1-101)(2-55)(3-65)(4-66)(5-75)(6-93)(7-72)(8-76)(9-95)(10-60)(11-70)(12-50)(13-58)(14-56)(15-67)(16-79)(17-101)(18-50)(19-78)(20-83)(21-59)(22-97)(23-54)(24-71)(25-69)(26-80)(27-102)(28-84)(29-62)(30-63)(31-57)(32-50)(33-51)(34-74)(35-68)(36-98)(37-96)(38-77)(39-51)(40-73)(41-100)(42-81)(43-64)(44-102)(45-99)(46-61)(47-51)(48-94)(49-82)(50-101)(51-102)(52-54)(52-85)(53-71)(53-86)(54-112)(55-70)(55-93)(56-87)(56-95)(57-87)(57-97)(58-65)(58-104)(59-66)(59-104)(60-67)(60-105)(61-90)(61-98)(62-76)(62-106)(63-68)(63-107)(64-77)(64-107)(65-89)(66-89)(67-88)(68-92)(69-70)(69-103)(71-113)(72-110)(72-112)(73-111)(73-113)(74-81)(74-94)(75-84)(75-109)(76-91)(77-92)(78-83)(78-105)(79-84)(79-99)(80-81)(80-108)(82-90)(82-100)(83-88)(85-103)(85-110)(86-108)(86-111)(87-89)(88-91)(90-92)(91-96)(93-117)(94-118)(95-115)(96-120)(97-115)(98-116)(99-119)(100-116)(101-115)(102-116)(103-117)(104-114)(105-114)(106-109)(106-120)(107-114)(108-118)(109-119)(110-123)(111-124)(112-121)(113-122)(117-125)(118-125)(119-125)(120-125)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-10A | 5.6 | 0.096 | 10.1002/ange.202410803 | 2024 |
| MDA-MB-231 | 19 | 0.012 | 10.1002/ange.202410803 | 2024 |
| 4T1 | 29 | 0.059 | 10.1002/ange.202410803 | 2024 |
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.