home← all complexes Ir builderC^N familiesD-MPNN

Complex #6055 — Ir(3) [3]

2D Structure

Structure
⬇ MOL V3000

Info

ID6055
MetalIr
Oxidation state3
Charge0
Donor atoms{"O": 2, "N": 1}
Abbreviation3
SMILESCc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.O=[N+]([O-])c1ccc(/C=C/c2ccc3cccc([O-])c3n2)cc1.[Cl-]

TUCAN

C38ClIrN2O3/(1-26)(2-28)(3-30)(4-33)(5-6)(5-25)(6-36)(7-19)(7-36)(8-11)(8-25)(9-12)(9-13)(10-13)(10-20)(11-35)(12-27)(14-24)(14-25)(15-21)(15-22)(16-17)(16-29)(17-31)(18-23)(18-29)(19-32)(20-27)(21-38)(22-32)(23-31)(24-35)(26-28)(26-30)(27-29)(28-34)(30-33)(31-34)(32-37)(33-34)(35-40)(36-39)(37-38)(37-39)(38-41)(40-42)(40-43)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa19— 10.1016/j.dyepig.2023.111146 2023
A54920— 10.1016/j.dyepig.2023.111146 2023
MCF-722— 10.1016/j.dyepig.2023.111146 2023
MDA-MB-23141— 10.1016/j.dyepig.2023.111146 2023
HepG252— 10.1016/j.dyepig.2023.111146 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
Loading source metadata…
The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.