Info
| ID | 5229 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 2} |
| Abbreviation | 2 |
| SMILES | C(=N/C(c1ccccc1)(c1ccccc1)c1ccccc1)\c1ccccn1.Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.[Cl-] |
TUCAN
C46H41IrN2/(1-46)(2-42)(3-42)(4-61)(5-43)(6-43)(7-59)(8-62)(9-85)(10-47)(11-43)(12-45)(13-58)(14-42)(15-56)(16-54)(17-67)(18-55)(19-52)(20-53)(21-63)(22-64)(23-65)(24-66)(25-70)(26-44)(27-44)(28-68)(29-48)(30-51)(31-60)(32-44)(33-45)(34-45)(35-57)(36-49)(37-50)(38-69)(39-72)(40-84)(41-71)(42-76)(43-73)(44-77)(45-80)(46-47)(46-78)(47-74)(48-49)(48-74)(49-78)(50-51)(50-57)(51-86)(52-54)(52-79)(53-55)(53-79)(54-56)(55-56)(57-85)(58-61)(58-81)(59-61)(59-62)(60-62)(60-81)(63-64)(63-67)(64-82)(65-66)(65-82)(66-67)(68-69)(68-70)(69-71)(70-83)(71-72)(72-83)(73-76)(73-80)(74-75)(75-76)(75-77)(77-80)(78-81)(79-87)(82-87)(83-87)(84-86)(84-88)(85-89)(86-89)(87-88)(88-90)(89-90)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | 26 | — | 10.1021/acs.inorgchem.8b02161 | 2018 |
| HeLa | 29 | — | 10.1021/acs.inorgchem.8b02161 | 2018 |
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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