Info
| ID | 5618 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 4} |
| Abbreviation | Ir(dipy)-3 |
| SMILES | C[N+](C)(C)CCOc1ccc(/C(=C2\C=CC=N2)c2ccc[n-]2)cc1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1 |
TUCAN
C42H35F4IrN5O/(1-40)(2-38)(3-49)(4-43)(5-64)(6-63)(7-54)(8-39)(9-44)(10-60)(11-60)(12-60)(13-61)(14-61)(15-67)(16-67)(17-61)(18-62)(19-52)(20-72)(21-41)(22-42)(23-45)(24-46)(25-50)(26-51)(27-62)(28-47)(29-72)(30-48)(31-55)(32-66)(33-53)(34-65)(35-62)(36-40)(36-56)(37-50)(37-59)(38-74)(38-76)(39-46)(39-63)(40-74)(41-42)(41-73)(42-58)(43-44)(43-64)(44-69)(45-54)(45-71)(46-49)(47-52)(47-53)(48-55)(48-58)(49-68)(50-75)(51-75)(51-77)(52-65)(53-70)(54-66)(55-73)(56-68)(56-76)(57-58)(57-69)(57-71)(59-70)(59-77)(60-78)(61-78)(62-78)(63-79)(64-80)(65-81)(66-82)(67-72)(67-78)(68-79)(69-80)(70-81)(71-82)(72-83)(73-83)(74-86)(75-87)(76-84)(77-85)(79-88)(80-88)(81-88)(82-88)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| SK-Mel-103 | 9.2 | 0.39 | 10.1016/j.dyepig.2021.109886 | 2022 |
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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