Info
| ID | 5344 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ir1 |
| SMILES | O=C(OCCCOc1ccc(-c2nc3c4cccnc4c4ncccc4c3n2-c2ccc(OCCCOC(=O)C(Cl)Cl)cc2)cc1)C(Cl)Cl.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C57H44Cl4IrN6O6/(1-51)(2-50)(3-57)(4-54)(5-56)(6-80)(7-100)(8-81)(9-52)(10-47)(11-72)(12-62)(13-82)(14-66)(15-101)(16-92)(17-93)(18-49)(19-48)(20-70)(21-58)(22-64)(23-55)(24-53)(25-65)(26-73)(27-60)(28-67)(29-93)(30-83)(31-69)(32-94)(33-74)(34-63)(35-71)(36-73)(37-95)(38-61)(39-94)(40-95)(41-68)(42-92)(43-74)(44-59)(45-47)(45-75)(46-48)(46-76)(47-52)(48-55)(49-50)(49-80)(50-54)(51-56)(51-75)(52-56)(53-65)(53-69)(54-84)(55-70)(57-58)(57-85)(58-97)(59-61)(59-82)(60-62)(60-97)(61-77)(62-85)(63-68)(63-96)(64-70)(64-76)(65-89)(66-71)(66-79)(67-72)(67-81)(68-79)(69-83)(71-96)(72-78)(73-92)(73-93)(74-94)(74-95)(75-84)(76-89)(77-88)(77-90)(78-86)(78-87)(79-91)(80-104)(81-106)(82-102)(83-105)(84-104)(85-103)(86-88)(86-107)(87-90)(87-106)(88-103)(89-105)(90-102)(91-103)(91-107)(92-111)(93-110)(94-112)(95-113)(96-113)(97-111)(98-100)(98-108)(98-110)(99-101)(99-109)(99-112)(100-114)(100-115)(101-116)(101-117)(104-118)(105-118)(106-118)(107-118)(112-118)(113-118)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 1.6 | 0.1 | 10.1039/C7CC05518H | 2017 |
| A549 | 2.1 | 0.36 | 10.1039/C7CC05518H | 2017 |
| A549cisR | 2.7 | 0.41 | 10.1039/C7CC05518H | 2017 |
| LO2 | 8.9 | 3.3 | 10.1039/C7CC05518H | 2017 |
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.