Info
| ID | 5877 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | [Ir(NN18)(CN07)2]+ |
| SMILES | Nc1ncc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cn1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1 |
TUCAN
C47H31IrN9/(1-34)(2-35)(3-45)(4-53)(5-50)(6-36)(7-39)(8-42)(9-37)(10-38)(11-67)(12-57)(13-49)(14-65)(15-66)(16-41)(17-68)(18-44)(19-51)(20-48)(21-55)(22-46)(23-40)(24-52)(25-47)(26-56)(27-43)(28-54)(29-79)(30-79)(31-83)(32-35)(32-59)(33-42)(33-62)(34-35)(34-39)(36-39)(36-59)(37-38)(37-58)(38-69)(40-41)(40-65)(41-60)(42-50)(43-50)(43-55)(44-52)(44-53)(45-53)(45-70)(46-54)(46-56)(47-51)(47-74)(48-56)(48-71)(49-57)(49-64)(51-61)(52-58)(54-61)(55-62)(57-67)(58-70)(59-69)(60-75)(60-76)(61-71)(62-74)(63-66)(63-68)(63-77)(64-72)(64-73)(65-81)(66-86)(67-82)(68-80)(69-84)(70-84)(71-85)(72-75)(72-82)(73-76)(73-87)(74-85)(75-81)(76-83)(77-83)(77-87)(78-79)(78-80)(78-86)(84-88)(85-88)(86-88)(87-88)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 13 | 0.1 | 10.1002/anie.202401808 | 2024 |
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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