home← all complexes Ir builderC^N familiesD-MPNN

Complex #6081 — Ir(3) [Ir6]

2D Structure

Structure
⬇ MOL V3000

Info

ID6081
MetalIr
Oxidation state3
Charge0
Donor atoms{"N": 4}
AbbreviationIr6
SMILESCc1ccc(/N=C/c2ccccc2[NH-])cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1

TUCAN

C36H29IrN4/(1-48)(2-33)(3-34)(4-43)(5-36)(6-44)(7-41)(8-46)(9-38)(10-30)(11-52)(12-37)(13-61)(14-49)(15-42)(16-47)(17-59)(18-60)(19-30)(20-40)(21-53)(22-45)(23-50)(24-35)(25-51)(26-39)(27-30)(28-54)(29-66)(30-56)(31-36)(31-55)(32-47)(32-57)(33-36)(33-48)(34-35)(34-44)(35-59)(37-38)(37-56)(38-63)(39-40)(39-46)(40-54)(41-47)(41-50)(42-48)(42-55)(43-49)(43-51)(44-62)(45-50)(45-57)(46-58)(49-65)(51-60)(52-53)(52-63)(53-56)(54-64)(55-62)(57-65)(58-61)(58-64)(59-67)(60-68)(61-69)(62-67)(63-69)(64-66)(65-68)(66-70)(67-70)(68-70)(69-70)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa10— 10.1039/d3dt03700b 2024
A54914— 10.1039/d3dt03700b 2024
HepG215— 10.1039/d3dt03700b 2024
A549cisR17— 10.1039/d3dt03700b 2024
BEAS-2B23— 10.1039/d3dt03700b 2024

🧬 Cell Death Types (1)

Apoptosis high
«the complexes were observed to induce late apoptosis»

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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