home← all complexes Ir builderC^N familiesD-MPNN

Complex #5523 — Ir(3) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID5523
MetalIr
Oxidation state3
Charge1
Donor atoms{"N": 6}
Abbreviation1
SMILES[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1cnc2c(c1)c1nsnc1c1cccnc12

TUCAN

C34H22IrN6S/(1-33)(2-27)(3-41)(4-35)(5-25)(6-29)(7-40)(8-47)(9-26)(10-38)(11-48)(12-50)(13-36)(14-34)(15-28)(16-49)(17-37)(18-30)(19-32)(20-39)(21-42)(22-31)(23-29)(23-43)(24-42)(24-44)(25-33)(25-34)(26-35)(26-52)(27-35)(27-48)(28-36)(28-49)(29-33)(30-38)(30-39)(31-40)(31-50)(32-40)(32-53)(34-43)(36-45)(37-41)(37-47)(38-42)(39-44)(41-46)(43-52)(44-53)(45-55)(45-56)(46-51)(46-54)(47-60)(48-59)(49-57)(50-61)(51-55)(51-60)(52-59)(53-61)(54-56)(54-62)(55-57)(56-58)(58-63)(59-64)(60-64)(61-64)(62-63)(62-64)(63-64)

Measurements (1)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa—— 10.1039/D0NJ03421E 2020

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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