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Complex #6113 — Ir(3) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID6113
MetalIr
Oxidation state3
Charge0
Donor atoms{"P": 1}
Abbreviation1
SMILESCc1c(C)c(C)[c-](C)c1C.[Cl-].[c-]1cc2cccc3ccc4ccc(P(c5ccccc5)c5ccccc5)c1c4c23

TUCAN

C38ClIrP/(1-26)(2-27)(3-30)(4-34)(5-35)(6-7)(6-37)(7-10)(8-9)(8-10)(9-37)(11-14)(11-15)(12-13)(12-31)(13-32)(14-31)(15-29)(16-19)(16-36)(17-18)(17-38)(18-20)(19-33)(20-23)(21-22)(21-33)(22-29)(23-24)(24-38)(25-28)(25-29)(25-31)(26-27)(26-30)(27-34)(28-32)(28-33)(30-35)(32-36)(34-35)(36-39)(37-39)(38-39)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HMLER0.53— 10.1039/d4qi02763a 2025
HMLER-shEcad0.63— 10.1039/d4qi02763a 2025
BEAS-2B0.7— 10.1039/d4qi02763a 2025

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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