home← all complexes Ir builderC^N familiesD-MPNN

Complex #9309 — Ir(3)

2D Structure

Structure
⬇ MOL V3000

Info

ID9309
MetalIr
Oxidation state3
Charge1
Donor atoms{"N": 7, "O": 1, "F": 4}
Abbreviation
SMILESCn1cc(CC(N)C(=O)Nc2cc3cccnc3c3ncccc23)c2ccccc21.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1

Measurements (7)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa7.1 10.1016/j.jinorgbio.2026.11321... 2026
A5498.4 10.1016/j.jinorgbio.2026.11321... 2026
MDA-MB-23111 10.1016/j.jinorgbio.2026.11321... 2026
A549cisR13 10.1016/j.jinorgbio.2026.11321... 2026
BEAS-2B13 10.1016/j.jinorgbio.2026.11321... 2026
4T114 10.1016/j.jinorgbio.2026.11321... 2026
HepG215 10.1016/j.jinorgbio.2026.11321... 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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