Info
| ID | 6125 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 2} |
| Abbreviation | Ir1 |
| SMILES | CCc1cccc(CC)c1/N=C(\C)C(C)([N-]c1c(CC)cccc1CC)C(=O)OC.Cc1c(C)c(C)[c-](C)c1C |
TUCAN
C36H50IrN2O2/(1-58)(2-51)(3-85)(4-58)(5-85)(6-51)(7-70)(8-51)(9-52)(10-52)(11-58)(12-52)(13-61)(14-53)(15-53)(16-53)(17-61)(18-85)(19-56)(20-61)(21-56)(22-56)(23-57)(24-57)(25-54)(26-54)(27-63)(28-68)(29-62)(30-54)(31-68)(32-55)(33-55)(34-55)(35-59)(36-60)(37-69)(38-69)(39-64)(40-60)(41-60)(42-70)(43-59)(44-59)(45-71)(46-57)(47-66)(48-71)(49-65)(50-67)(51-72)(52-73)(53-74)(54-68)(55-69)(56-77)(57-78)(58-70)(59-84)(60-81)(61-71)(62-63)(62-75)(63-64)(64-76)(65-66)(65-79)(66-67)(67-80)(68-75)(69-76)(70-79)(71-80)(72-73)(72-74)(73-77)(74-78)(75-82)(76-82)(77-78)(79-83)(80-83)(81-84)(81-87)(82-87)(83-88)(84-86)(84-88)(85-90)(86-89)(86-90)(87-91)(88-91)
Measurements (3)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 14 | — | 10.1021/acs.organomet.1c00572 | 2021 |
| A549 | 24 | — | 10.1021/acs.organomet.1c00572 | 2021 |
| BEAS-2B | 31 | — | 10.1021/acs.organomet.1c00572 | 2021 |
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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