Info
| ID | 5527 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 7} |
| Abbreviation | 2a |
| SMILES | CCCCn1c(-c2ccccn2)nc2cc(C(=O)OC)ccc21.FC(F)(F)c1ccc(Cn2c(-c3[c-]cccc3)nc3ccccc32)cc1.FC(F)(F)c1ccc(Cn2c(-c3[c-]cccc3)nc3ccccc32)cc1 |
TUCAN
C60H47F6IrN7O2/(1-59)(2-51)(3-60)(4-55)(5-57)(6-91)(7-64)(8-54)(9-76)(10-53)(11-65)(12-69)(13-79)(14-80)(15-90)(16-104)(17-104)(18-93)(19-48)(20-104)(21-68)(22-81)(23-56)(24-63)(25-72)(26-91)(27-92)(28-67)(29-66)(30-92)(31-70)(32-58)(33-81)(34-82)(35-78)(36-52)(37-73)(38-75)(39-62)(40-74)(41-61)(42-77)(43-71)(44-48)(45-93)(46-82)(47-48)(48-82)(49-57)(49-86)(50-74)(50-88)(51-59)(51-84)(52-55)(52-67)(53-76)(53-86)(54-55)(54-97)(56-60)(56-84)(57-64)(58-70)(58-89)(59-83)(60-83)(61-73)(61-78)(62-63)(62-85)(63-87)(64-76)(65-77)(65-88)(66-74)(66-77)(67-94)(68-79)(68-100)(69-79)(69-90)(70-98)(71-75)(71-85)(72-78)(72-99)(73-96)(75-87)(80-89)(80-95)(81-82)(81-93)(83-91)(84-106)(85-107)(86-101)(87-92)(88-103)(89-105)(90-112)(91-108)(92-109)(93-110)(94-97)(94-111)(95-98)(95-114)(96-99)(96-113)(97-108)(98-110)(99-109)(100-102)(100-112)(101-108)(101-111)(102-110)(102-114)(103-109)(103-113)(104-116)(105-115)(105-116)(106-117)(106-118)(106-119)(107-120)(107-121)(107-122)(111-123)(112-123)(113-123)(114-123)(116-123)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A2780 | 0.2 | — | 10.1039/C6CC07909A | 2016 |
| A2780cisR | 0.26 | — | 10.1039/C6CC07909A | 2016 |
| MDA-MB-231 | 0.3 | — | 10.1039/C6CC07909A | 2016 |
| MCF-7 | 0.46 | — | 10.1039/C6CC07909A | 2016 |
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.