Info
| ID | 5924 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ir3-NB |
| SMILES | [c-]1ccccc1-c1nccc2ccccc12.[c-]1ccccc1-c1nccc2ccccc12.c1ccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)cc1 |
TUCAN
C49H32IrN6/(1-41)(2-46)(3-37)(4-36)(5-42)(6-60)(7-48)(8-51)(9-55)(10-52)(11-35)(12-47)(13-39)(14-44)(15-59)(16-72)(17-71)(18-56)(19-45)(20-54)(21-38)(22-74)(23-40)(24-53)(25-43)(26-61)(27-73)(28-49)(29-58)(30-57)(31-50)(32-83)(33-41)(33-67)(34-60)(34-70)(35-62)(35-72)(36-51)(36-62)(37-55)(37-69)(38-45)(38-65)(39-46)(39-64)(40-55)(40-56)(41-47)(42-43)(42-47)(43-67)(44-49)(44-66)(45-71)(46-51)(48-57)(48-59)(49-58)(50-63)(50-73)(52-53)(52-68)(53-74)(54-56)(54-69)(57-70)(58-61)(59-60)(61-63)(62-64)(63-66)(64-76)(65-75)(65-79)(66-77)(67-76)(68-78)(68-80)(69-81)(70-77)(71-85)(72-84)(73-86)(74-82)(75-78)(75-85)(76-84)(77-86)(78-82)(79-80)(79-87)(80-83)(81-83)(81-87)(84-88)(85-88)(86-88)(87-88)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| BHK | 6.1 | 0.14 | 10.1016/j.dyepig.2023.111641 | 2023 |
| A549 | 7.8 | 0.13 | 10.1016/j.dyepig.2023.111641 | 2023 |
| MDA-MB-231 | 8.2 | 0.16 | 10.1016/j.dyepig.2023.111641 | 2023 |
| MCF-7 | 9.3 | 0.18 | 10.1016/j.dyepig.2023.111641 | 2023 |
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.