home← all complexes Ir builderC^N familiesD-MPNN

Complex #5244 — Ir(3) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID5244
MetalIr
Oxidation state3
Charge1
Donor atoms{"N": 5, "O": 1}
Abbreviation2
SMILESNc1c([N+](=O)[O-])c2cccnc2c2ncccc12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1

TUCAN

C34H24IrN6O2/(1-28)(2-38)(3-49)(4-33)(5-29)(6-40)(7-27)(8-32)(9-51)(10-52)(11-43)(12-37)(13-44)(14-50)(15-41)(16-42)(17-39)(18-30)(19-34)(20-35)(21-31)(22-36)(23-59)(24-59)(25-28)(25-45)(26-31)(26-46)(27-40)(27-53)(28-38)(29-32)(29-45)(30-44)(30-51)(31-42)(32-38)(33-40)(33-49)(34-41)(34-50)(35-41)(35-56)(36-39)(36-42)(37-43)(37-48)(39-46)(43-52)(44-47)(45-53)(46-56)(47-55)(47-58)(48-54)(48-57)(49-61)(50-62)(51-64)(52-63)(53-61)(54-58)(54-63)(55-57)(55-59)(56-62)(57-60)(58-64)(60-65)(60-66)(61-67)(62-67)(63-67)(64-67)

Measurements (7)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
SGC-790114— 10.3390/molecules24173129 2019
NIH-3T323— 10.3390/molecules24173129 2019
HeLa53— 10.3390/molecules24173129 2019
BEL-740269— 10.3390/molecules24173129 2019
EC10973— 10.3390/molecules24173129 2019
A54981— 10.3390/molecules24173129 2019
HepG299— 10.3390/molecules24173129 2019

🧬 Cell Death Types (1)

Apoptosis high
«The results reveal that these complexes can indeed induce apoptosis, with 1 displaying the highest apoptotic effect.»

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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