Info
| ID | 5761 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 3 |
| Donor atoms | {"N": 5} |
| Abbreviation | IrC |
| SMILES | CC[n+]1ccc(-c2ccc(N(c3ccc(-c4cc[n+](CC)cc4)cc3)c3ccc(-c4ccc(-c5ccccn5)nc4)cc3)cc2)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C64H53IrN7/(1-74)(2-64)(3-101)(4-70)(5-83)(6-62)(7-102)(8-78)(9-84)(10-58)(11-66)(12-69)(13-60)(14-75)(15-88)(16-73)(17-71)(18-59)(19-68)(20-80)(21-82)(22-103)(23-104)(24-61)(25-106)(26-76)(27-89)(28-81)(29-86)(30-105)(31-109)(32-109)(33-54)(34-54)(35-54)(36-90)(37-92)(38-110)(39-55)(40-79)(41-87)(42-55)(43-108)(44-63)(45-91)(46-85)(47-107)(48-110)(49-72)(50-67)(51-55)(52-77)(53-65)(54-109)(55-110)(56-59)(56-93)(57-82)(57-99)(58-60)(58-61)(59-66)(60-111)(61-101)(62-64)(62-93)(63-65)(63-86)(64-66)(65-112)(67-68)(67-87)(68-82)(69-94)(69-102)(70-76)(70-117)(71-80)(71-98)(72-79)(72-114)(73-94)(73-103)(74-75)(74-97)(75-115)(76-95)(77-79)(77-108)(78-81)(78-117)(80-113)(81-95)(83-88)(83-97)(84-90)(84-100)(85-91)(85-100)(86-106)(87-99)(88-115)(89-96)(89-105)(90-116)(91-116)(92-96)(92-107)(93-111)(94-97)(95-98)(96-100)(98-104)(99-112)(101-121)(102-118)(103-118)(104-123)(105-119)(106-122)(107-119)(108-124)(109-118)(110-119)(111-121)(112-122)(113-114)(113-123)(114-124)(115-120)(116-120)(117-120)(121-125)(122-125)(123-125)(124-125)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| MCF-10A | 10 | 0.18 | 10.1002/ange.202410803 | 2024 |
| MDA-MB-231 | 20 | 0.017 | 10.1002/ange.202410803 | 2024 |
| 4T1 | 45 | 0.084 | 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.