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Complex #5882 — Ir(3) [Ir5]

2D Structure

Structure
⬇ MOL V3000

Info

ID5882
MetalIr
Oxidation state3
Charge0
Donor atoms{"N": 2}
AbbreviationIr5
SMILESCc1c(C)c(C)[c-](C)c1C.Cc1ccc(N(c2ccc(C)cc2)c2ccc(C=Cc3ccncc3)cc2)cc1.[Cl-].[Cl-]

TUCAN

C37Cl2IrN2/(1-25)(2-26)(3-28)(4-30)(5-32)(6-29)(7-31)(8-24)(8-33)(9-10)(9-27)(10-24)(11-24)(11-34)(12-16)(12-36)(13-21)(13-36)(14-22)(14-37)(15-18)(15-27)(16-29)(17-23)(17-37)(18-35)(19-20)(19-27)(20-35)(21-29)(22-31)(23-31)(25-26)(25-28)(26-30)(28-32)(30-32)(33-38)(34-38)(35-39)(36-39)(37-39)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A54931— 10.1021/acs.inorgchem.2c03333 2023
HeLa68— 10.1021/acs.inorgchem.2c03333 2023
BEAS-2B78— 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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