home← all complexes Ir builderC^N familiesD-MPNN

Complex #8940 — Ir(3)

2D Structure

Structure
⬇ MOL V3000

Info

ID8940
MetalIr
Oxidation state3
Charge1
Donor atoms{"N": 10, "S": 4, "O": 4}
Abbreviation
SMILESNS(=O)(=O)c1ccc(CCNCc2c[c-]c(-c3ccccn3)cc2)cc1.NS(=O)(=O)c1ccc(CCNCc2c[c-]c(-c3ccccn3)cc2)cc1.c1ccc2sc(-c3ccnc(-c4cc(-c5nc6ccccc6s5)ccn4)c3)nc2c1

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
SGC-790150 10.1021/acs.jmedchem.5c03188 2026
AGS50 10.1021/acs.jmedchem.5c03188 2026
MKN 4550 10.1021/acs.jmedchem.5c03188 2026
MFC50 10.1021/acs.jmedchem.5c03188 2026
HLF1e+02 10.1021/acs.jmedchem.5c03188 2026

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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