home← all complexes Ir builderC^N familiesD-MPNN

Complex #6078 — Ir(3) [Ir3]

2D Structure

Structure
⬇ MOL V3000

Info

ID6078
MetalIr
Oxidation state3
Charge0
Donor atoms{"N": 4}
AbbreviationIr3
SMILESCC(C)(C)c1ccc(/N=C/c2ccccc2[NH-])cc1.Cc1c[c-]c(-c2ccccn2)cc1.Cc1c[c-]c(-c2ccccn2)cc1

TUCAN

C41H39IrN4/(1-57)(2-49)(3-74)(4-40)(5-76)(6-40)(7-50)(8-56)(9-42)(10-53)(11-60)(12-42)(13-75)(14-54)(15-42)(16-40)(17-48)(18-62)(19-41)(20-65)(21-64)(22-41)(23-43)(24-51)(25-55)(26-66)(27-43)(28-43)(29-63)(30-47)(31-59)(32-58)(33-41)(34-44)(35-52)(36-61)(37-44)(38-44)(39-81)(40-68)(41-72)(42-73)(43-73)(44-73)(45-49)(45-67)(46-56)(46-70)(47-62)(47-67)(48-50)(48-57)(49-68)(50-74)(51-52)(51-79)(52-53)(53-54)(54-69)(55-60)(55-78)(56-72)(57-77)(58-63)(58-64)(59-65)(59-70)(60-71)(61-66)(61-71)(62-68)(63-80)(64-76)(65-72)(66-78)(67-77)(69-75)(69-79)(70-80)(71-73)(74-82)(75-83)(76-84)(77-82)(78-83)(79-81)(80-84)(81-85)(82-85)(83-85)(84-85)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa12— 10.1039/d3dt03700b 2024
A54914— 10.1039/d3dt03700b 2024
HepG216— 10.1039/d3dt03700b 2024
A549cisR16— 10.1039/d3dt03700b 2024
BEAS-2B27— 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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