Info
| ID | 5545 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6, "O": 2} |
| Abbreviation | 3 |
| SMILES | CCC1=C(CC)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CC)c5CC)C(CC)=C4CC)c(CC)c3CC.[C-]#[N+]c1ccc(OC)cc1.[C-]#[N+]c1ccc(OC)cc1 |
TUCAN
C52H58IrN6O2/(1-79)(2-80)(3-60)(4-59)(5-68)(6-62)(7-107)(8-62)(9-107)(10-62)(11-107)(12-108)(13-84)(14-108)(15-67)(16-65)(17-63)(18-80)(19-79)(20-60)(21-59)(22-81)(23-81)(24-60)(25-59)(26-82)(27-63)(28-63)(29-66)(30-85)(31-82)(32-64)(33-64)(34-74)(35-75)(36-64)(37-85)(38-69)(39-71)(40-61)(41-65)(42-70)(43-65)(44-61)(45-66)(46-66)(47-83)(48-72)(49-108)(50-73)(51-84)(52-86)(53-78)(54-86)(55-61)(56-83)(57-76)(58-77)(59-79)(60-80)(61-81)(62-84)(63-82)(64-85)(65-86)(66-83)(67-72)(67-97)(68-70)(68-109)(69-78)(69-97)(70-98)(71-73)(71-109)(72-110)(73-98)(74-99)(74-103)(75-100)(75-101)(76-104)(76-105)(77-102)(77-106)(78-110)(79-87)(80-89)(81-90)(82-91)(83-92)(84-88)(85-93)(86-94)(87-91)(87-101)(88-89)(88-99)(89-100)(90-94)(90-102)(91-104)(92-93)(92-105)(93-106)(94-103)(95-113)(96-114)(97-113)(98-114)(99-115)(100-115)(101-111)(102-116)(103-116)(104-111)(105-112)(106-112)(107-117)(108-118)(109-117)(110-118)(113-119)(114-119)(115-119)(116-119)(117-119)(118-119)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| NCI-H460 | 2.9 | 0.12 | 10.1039/C8SC02920B | 2019 |
| HeLa | 7.9 | — | 10.1039/C8SC02920B | 2019 |
| HCT-116 | 23 | — | 10.1039/C8SC02920B | 2019 |
| HCC827 | 50 | — | 10.1039/C8SC02920B | 2019 |
| HepG2 | — | — | 10.1039/C8SC02920B | 2019 |
| MCF-7 | — | — | 10.1039/C8SC02920B | 2019 |
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.