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Complex #5356 — Ir(3) [IrCN]

2D Structure

Structure
⬇ MOL V3000

Info

ID5356
MetalIr
Oxidation state3
Charge1
Donor atoms{"N": 4}
AbbreviationIrCN
SMILESCC#N.CC#N.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1

TUCAN

C26H18F4IrN4/(1-19)(2-19)(3-19)(4-29)(5-30)(6-25)(7-31)(8-24)(9-28)(10-20)(11-20)(12-23)(13-27)(14-26)(15-32)(16-37)(17-38)(18-20)(19-35)(20-36)(21-26)(21-33)(22-32)(22-34)(23-25)(23-29)(24-41)(24-42)(25-39)(26-41)(27-30)(27-31)(28-43)(28-44)(29-37)(30-38)(31-40)(32-44)(33-39)(33-42)(34-40)(34-43)(35-45)(36-46)(37-47)(38-48)(39-47)(40-48)(41-50)(42-49)(43-51)(44-52)(47-53)(48-53)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa4.8— 10.1039/D0CC07104H 2021
A5495.2— 10.1039/D0CC07104H 2021
MCF-76.5— 10.1039/D0CC07104H 2021
HLF8— 10.1039/D0CC07104H 2021

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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