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Complex #5691 — Ir(3) [[IrL]]

2D Structure

Structure
⬇ MOL V3000

Info

ID5691
MetalIr
Oxidation state3
Charge1
Donor atoms{"N": 6}
Abbreviation[IrL]
SMILESCc1c(C)c(C)[c-](C)c1C.[Cl-].c1ccc(-c2cn(Cc3nc4ccccc4nc3-n3cc(-c4ccccn4)nn3)nn2)nc1

TUCAN

C33H31IrN10/(1-32)(2-32)(3-32)(4-33)(5-33)(6-46)(7-53)(8-56)(9-52)(10-44)(11-55)(12-54)(13-56)(14-38)(15-45)(16-42)(17-43)(18-37)(19-39)(20-40)(21-41)(22-33)(23-34)(24-34)(25-34)(26-35)(27-35)(28-35)(29-36)(30-36)(31-36)(32-47)(33-48)(34-49)(35-50)(36-51)(37-39)(37-52)(38-39)(38-58)(40-42)(40-43)(41-42)(41-57)(43-60)(44-45)(44-63)(45-46)(46-54)(47-48)(47-49)(48-50)(49-51)(50-51)(52-66)(53-61)(53-70)(54-65)(55-62)(55-69)(56-59)(56-69)(57-60)(57-73)(58-61)(58-66)(59-64)(59-73)(60-74)(61-68)(62-63)(62-67)(63-65)(64-70)(64-74)(67-72)(68-71)(69-72)(70-71)(73-75)(74-75)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
Caco-28— 10.1021/acs.inorgchem.0c02928 2020
HeLa70— 10.1021/acs.inorgchem.0c02928 2020
HEK293—— 10.1021/acs.inorgchem.0c02928 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.

experimental validation surface
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