Info
| ID | 5422 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 8} |
| Abbreviation | Ir2 |
| SMILES | [c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1.c1ccc2[nH]c(-c3ccnc(-c4cc(-c5nc6ccccc6[nH]5)ccn4)c3)nc2c1 |
TUCAN
C54H36IrN8/(1-46)(2-41)(3-56)(4-48)(5-60)(6-67)(7-55)(8-44)(9-51)(10-45)(11-39)(12-54)(13-77)(14-68)(15-57)(16-40)(17-47)(18-64)(19-53)(20-43)(21-61)(22-59)(23-63)(24-62)(25-78)(26-69)(27-49)(28-52)(29-42)(30-58)(31-65)(32-50)(33-66)(34-70)(35-93)(36-94)(37-44)(37-71)(38-57)(38-76)(39-48)(39-49)(40-48)(40-81)(41-51)(41-54)(42-52)(42-53)(43-72)(43-82)(44-46)(45-46)(45-56)(47-64)(47-84)(49-74)(50-58)(50-69)(51-62)(52-63)(53-79)(54-80)(55-57)(55-68)(56-71)(58-70)(59-73)(59-78)(60-73)(60-87)(61-72)(61-77)(62-85)(63-86)(64-74)(65-66)(65-75)(66-88)(67-68)(67-76)(69-83)(70-75)(71-84)(72-89)(73-90)(74-81)(75-83)(76-88)(77-91)(78-97)(79-86)(79-94)(80-85)(80-93)(81-95)(82-87)(82-91)(83-96)(84-95)(85-92)(86-98)(87-97)(88-96)(89-94)(89-98)(90-92)(90-93)(95-99)(96-99)(97-99)(98-99)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 0.23 | — | 10.1007/s00775-020-01783-2 | 2020 |
| HeLa | 0.46 | — | 10.1007/s00775-020-01783-2 | 2020 |
| A549cisR | 1.6 | — | 10.1007/s00775-020-01783-2 | 2020 |
| U-87 MG | 1.6 | — | 10.1007/s00775-020-01783-2 | 2020 |
| LO2 | 3.2 | — | 10.1007/s00775-020-01783-2 | 2020 |
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.