Info
| ID | 5666 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 6} |
| Abbreviation | Ir1 |
| SMILES | [c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc2c(c1)oc1cc(-c3nc4c5cccnc5c5ncccc5c4[nH]3)ccc12 |
TUCAN
C47H30IrN6O/(1-37)(2-42)(3-38)(4-45)(5-52)(6-65)(7-35)(8-36)(9-39)(10-34)(11-66)(12-46)(13-53)(14-57)(15-33)(16-50)(17-47)(18-51)(19-49)(20-48)(21-40)(22-67)(23-68)(24-55)(25-41)(26-56)(27-43)(28-54)(29-44)(30-79)(31-35)(31-59)(32-43)(32-64)(33-47)(33-60)(34-45)(34-48)(35-37)(36-37)(36-42)(38-39)(38-53)(39-71)(40-45)(40-58)(41-43)(41-54)(42-59)(44-56)(44-74)(46-52)(46-68)(47-67)(48-77)(49-50)(49-62)(50-63)(51-62)(51-76)(52-61)(53-65)(54-55)(55-64)(56-57)(57-66)(58-63)(58-77)(59-71)(60-69)(60-72)(61-70)(61-73)(62-75)(63-76)(64-74)(65-80)(66-82)(67-83)(68-78)(69-73)(69-83)(70-72)(70-79)(71-80)(72-81)(73-78)(74-82)(75-79)(75-81)(76-84)(77-84)(80-85)(81-85)(82-85)(83-85)(84-85)
Measurements (6)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| BEL-7402 | 5.7 | — | 10.1007/s00775-023-01997-0 | 2023 |
| HepG2 | 6.9 | — | 10.1007/s00775-023-01997-0 | 2023 |
| A549 | 7.2 | — | 10.1007/s00775-023-01997-0 | 2023 |
| SGC-7901 | 9.6 | — | 10.1007/s00775-023-01997-0 | 2023 |
| LO2 | 38 | — | 10.1007/s00775-023-01997-0 | 2023 |
| HCT-116 | 64 | — | 10.1007/s00775-023-01997-0 | 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.