Info
| ID | 5031 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | IrC2 |
| SMILES | Cn1c2ccccc2c2ccnc(-c3ccc4ccccc4n3)c21.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1 |
TUCAN
C51H35IrN5/(1-40)(2-38)(3-41)(4-42)(5-55)(6-45)(7-53)(8-64)(9-50)(10-47)(11-51)(12-52)(13-66)(14-77)(15-48)(16-76)(17-58)(18-68)(19-56)(20-49)(21-59)(22-63)(23-39)(24-44)(25-62)(26-57)(27-76)(28-60)(29-67)(30-61)(31-43)(32-54)(33-46)(34-65)(35-76)(36-50)(36-71)(37-54)(37-73)(38-43)(38-69)(39-43)(39-47)(40-41)(40-69)(41-78)(42-45)(42-74)(44-50)(44-51)(45-82)(46-55)(46-62)(47-84)(48-70)(48-77)(49-60)(49-67)(51-53)(52-62)(52-85)(53-71)(54-61)(55-74)(56-65)(56-86)(57-65)(57-68)(58-66)(58-75)(59-67)(59-80)(60-75)(61-63)(63-64)(64-73)(66-81)(68-72)(69-84)(70-72)(70-79)(71-78)(72-86)(73-82)(74-85)(75-80)(76-87)(77-91)(78-89)(79-83)(79-87)(80-88)(81-83)(81-88)(82-90)(83-91)(84-89)(85-90)(86-87)(88-92)(89-92)(90-92)(91-92)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 1.3 | 0.014 | 10.1039/D0DT00180E | 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.