Info
| ID | 5246 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | 2-IrAn |
| SMILES | [c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(-n2c(-c3ccc4cc5ccccc5cc4c3)nc3c4cccnc4c4ncccc4c32)cc1 |
TUCAN
C55H36IrN6/(1-46)(2-80)(3-59)(4-53)(5-55)(6-69)(7-44)(8-45)(9-51)(10-63)(11-40)(12-61)(13-58)(14-67)(15-50)(16-54)(17-81)(18-43)(19-39)(20-60)(21-49)(22-47)(23-42)(24-41)(25-56)(26-57)(27-82)(28-52)(29-48)(30-62)(31-65)(32-66)(33-83)(34-68)(35-64)(36-70)(37-44)(37-73)(38-64)(38-79)(39-41)(39-47)(40-48)(40-78)(41-88)(42-72)(42-75)(43-49)(43-82)(44-50)(45-50)(45-62)(46-51)(46-63)(47-60)(48-54)(49-77)(51-84)(52-60)(52-88)(53-61)(53-72)(54-57)(55-58)(55-76)(56-71)(56-74)(57-75)(58-81)(59-74)(59-78)(61-71)(62-73)(63-80)(64-65)(65-66)(66-68)(67-69)(67-90)(68-79)(69-70)(70-83)(71-91)(72-74)(73-84)(75-78)(76-85)(76-86)(77-87)(77-89)(79-90)(80-94)(81-92)(82-97)(83-95)(84-94)(85-89)(85-93)(86-87)(86-92)(87-97)(88-93)(89-96)(90-95)(91-93)(91-96)(94-98)(95-98)(96-98)(97-98)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 0.83 | — | 10.1021/jacs.1c13137 | 2022 |
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.