home← all complexes Ir builderC^N familiesD-MPNN

Complex #7333 — Ir(3)

2D Structure

Structure
⬇ MOL V3000

Info

ID7333
MetalIr
Oxidation state3
Charge1
Donor atoms{"N": 6, "O": 1}
Abbreviation—
SMILESCc1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1O.[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12

Measurements (7)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
FADU0.32— 10.1016/j.jinorgbio.2026.11329... 2026
SCC70.53— 10.1016/j.jinorgbio.2026.11329... 2026
CAL270.55— 10.1016/j.jinorgbio.2026.11329... 2026
CAL330.59— 10.1016/j.jinorgbio.2026.11329... 2026
SCC251.6— 10.1016/j.jinorgbio.2026.11329... 2026
SAS2.9— 10.1016/j.jinorgbio.2026.11329... 2026
NIH-3T311— 10.1016/j.jinorgbio.2026.11329... 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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