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Complex #5673 — Ir(3) [Ir(III) complex 9]

2D Structure

Structure
⬇ MOL V3000

Info

ID5673
MetalIr
Oxidation state3
Charge0
Donor atoms{"N": 1}
AbbreviationIr(III) complex 9
SMILESBrc1c[c-]c(-c2ccccn2)cc1.Cc1c(C)c(C)[c-](C)c1C.[Cl-]

TUCAN

C21BrClIrN/(1-13)(2-15)(3-16)(4-17)(5-18)(6-8)(6-20)(7-8)(7-19)(9-10)(9-14)(10-21)(11-12)(11-21)(12-14)(13-15)(13-16)(14-20)(15-17)(16-18)(17-18)(19-22)(20-22)(21-24)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
RT1127.5— 10.1021/acs.inorgchem.9b02402 2019
RT112 cP8— 10.1021/acs.inorgchem.9b02402 2019
NHDF35— 10.1021/acs.inorgchem.9b02402 2019
MCF-740— 10.1021/acs.inorgchem.9b02402 2019

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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