home← all complexes Ir builderC^N familiesD-MPNN

Complex #5524 — Ir(3) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID5524
MetalIr
Oxidation state3
Charge1
Donor atoms{"N": 6}
Abbreviation2
SMILES[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12.c1cnc2c(c1)c1nsnc1c1cccnc12

TUCAN

C38H22IrN6S/(1-52)(2-35)(3-42)(4-26)(5-28)(6-33)(7-27)(8-51)(9-34)(10-36)(11-41)(12-38)(13-39)(14-29)(15-54)(16-37)(17-25)(18-31)(19-32)(20-53)(21-30)(22-40)(23-25)(23-44)(24-30)(24-50)(25-34)(26-34)(26-46)(27-35)(27-46)(28-36)(28-52)(29-38)(29-54)(30-39)(31-39)(31-47)(32-40)(32-47)(33-41)(33-53)(35-43)(36-43)(37-42)(37-51)(38-48)(40-45)(41-45)(42-49)(43-56)(44-46)(44-56)(45-60)(47-50)(48-58)(48-59)(49-55)(49-57)(50-60)(51-65)(52-63)(53-64)(54-61)(55-58)(55-65)(56-63)(57-59)(57-66)(58-61)(59-62)(60-64)(62-67)(63-68)(64-68)(65-68)(66-67)(66-68)(67-68)

Measurements (1)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa30— 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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