Info
| ID | 5421 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 8} |
| Abbreviation | Ir1 |
| SMILES | [c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc2[nH]c(-c3ccnc(-c4cc(-c5nc6ccccc6[nH]5)ccn4)c3)nc2c1 |
TUCAN
C46H32IrN8/(1-39)(2-43)(3-40)(4-66)(5-67)(6-42)(7-57)(8-37)(9-38)(10-45)(11-56)(12-51)(13-49)(14-44)(15-58)(16-46)(17-41)(18-54)(19-36)(20-35)(21-50)(22-53)(23-65)(24-47)(25-48)(26-52)(27-68)(28-60)(29-55)(30-59)(31-81)(32-82)(33-37)(33-61)(34-44)(34-64)(35-62)(35-65)(36-62)(36-74)(37-39)(38-39)(38-43)(40-45)(40-56)(41-52)(41-69)(42-44)(42-58)(43-61)(45-75)(46-47)(46-53)(47-51)(48-50)(48-52)(49-63)(49-67)(50-70)(51-73)(53-72)(54-63)(54-71)(55-60)(55-76)(56-66)(57-58)(57-64)(59-60)(59-68)(61-75)(62-77)(63-78)(64-76)(65-83)(66-84)(67-79)(68-86)(69-70)(69-82)(70-85)(71-74)(71-79)(72-73)(72-80)(73-81)(74-83)(75-84)(76-86)(77-80)(77-81)(78-82)(78-85)(83-87)(84-87)(85-87)(86-87)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549cisR | 0.59 | — | 10.1007/s00775-020-01783-2 | 2020 |
| HeLa | 0.63 | — | 10.1007/s00775-020-01783-2 | 2020 |
| A549 | 0.69 | — | 10.1007/s00775-020-01783-2 | 2020 |
| U-87 MG | 1.2 | — | 10.1007/s00775-020-01783-2 | 2020 |
| LO2 | 1.2 | — | 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.