Info
| ID | 5178 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 3, "P": 1} |
| Abbreviation | Ir1 |
| SMILES | C(=N/C1CCCCC1)\c1ccccc1P(c1ccccc1)c1ccccc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C47H42IrN3P/(1-45)(2-47)(3-81)(4-54)(5-49)(6-50)(7-82)(8-46)(9-60)(10-55)(11-67)(12-48)(13-68)(14-64)(15-51)(16-65)(17-58)(18-75)(19-74)(20-73)(21-74)(22-75)(23-86)(24-77)(25-76)(26-77)(27-73)(28-83)(29-66)(30-53)(31-70)(32-59)(33-52)(34-62)(35-71)(36-57)(37-63)(38-72)(39-56)(40-61)(41-69)(42-76)(43-47)(43-78)(44-61)(44-80)(45-60)(45-81)(46-48)(46-50)(47-48)(49-62)(49-82)(50-78)(51-52)(51-68)(52-61)(53-55)(53-59)(54-55)(54-87)(56-63)(56-72)(57-58)(57-88)(58-65)(59-64)(60-67)(62-69)(63-66)(64-87)(65-71)(66-89)(67-84)(68-80)(69-85)(70-72)(70-89)(71-79)(73-74)(73-77)(74-75)(75-86)(76-77)(76-86)(78-84)(79-83)(79-88)(80-85)(81-90)(82-91)(83-92)(84-90)(85-91)(86-92)(87-93)(88-93)(89-93)(90-94)(91-94)(92-94)(93-94)
Measurements (7)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| 4T1 | 3.9 | — | 10.1039/c9qi01492f | 2020 |
| HCT-116 | 4.1 | — | 10.1039/c9qi01492f | 2020 |
| HeLa | 4.1 | — | 10.1039/c9qi01492f | 2020 |
| CT-26 | 4.3 | — | 10.1039/c9qi01492f | 2020 |
| A549 | 4.5 | — | 10.1039/c9qi01492f | 2020 |
| HT-29 | 4.9 | — | 10.1039/c9qi01492f | 2020 |
| HepG2 | 5.8 | — | 10.1039/c9qi01492f | 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.