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Complex #5880 — Ir(3) [Ir3]

2D Structure

Structure
⬇ MOL V3000

Info

ID5880
MetalIr
Oxidation state3
Charge0
Donor atoms{"N": 2}
AbbreviationIr3
SMILESCc1c(C)c(C)[c-](C)c1C.[Cl-].[Cl-].c1ccc(N(c2ccccc2)c2ccc(-c3ccncc3)cc2)cc1

TUCAN

C33Cl2IrN2/(1-23)(2-24)(3-25)(4-26)(5-28)(6-8)(6-15)(7-9)(7-22)(8-32)(9-31)(10-14)(10-32)(11-12)(11-31)(12-22)(13-16)(13-33)(14-15)(16-20)(17-20)(17-21)(18-27)(18-29)(19-27)(19-30)(21-33)(22-27)(23-24)(23-25)(24-26)(25-28)(26-28)(29-34)(30-34)(31-35)(32-35)(33-35)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A54944— 10.1021/acs.inorgchem.2c03333 2023
HeLa57— 10.1021/acs.inorgchem.2c03333 2023
BEAS-2B67— 10.1021/acs.inorgchem.2c03333 2023

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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