home← all complexes Ir builderC^N familiesD-MPNN

Complex #5926 — Ir(3) [Ir-CN]

2D Structure

Structure
⬇ MOL V3000

Info

ID5926
MetalIr
Oxidation state3
Charge1
Donor atoms{"N": 6}
AbbreviationIr-CN
SMILESN#Cc1ccc(-c2ccnc(-c3cc(-c4ccc(C#N)cc4)ccn3)c2)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1

TUCAN

C46H30IrN6/(1-37)(2-39)(3-69)(4-72)(5-38)(6-33)(7-36)(8-35)(9-46)(10-43)(11-47)(12-41)(13-48)(14-40)(15-45)(16-50)(17-70)(18-55)(19-52)(20-51)(21-53)(22-42)(23-54)(24-57)(25-44)(26-56)(27-58)(28-34)(29-71)(30-49)(31-33)(31-59)(32-34)(32-60)(33-38)(34-53)(35-39)(35-69)(36-37)(36-38)(37-59)(39-46)(40-47)(40-60)(41-43)(41-61)(42-62)(42-73)(43-64)(44-66)(44-74)(45-50)(45-61)(46-75)(47-53)(48-54)(48-72)(49-54)(49-76)(50-64)(51-62)(51-70)(52-55)(52-65)(55-63)(56-58)(56-65)(57-66)(57-71)(58-63)(59-75)(60-76)(61-62)(63-66)(64-67)(65-68)(67-77)(68-78)(69-79)(70-80)(71-81)(72-82)(73-74)(73-80)(74-81)(75-79)(76-82)(79-83)(80-83)(81-83)(82-83)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MCF-740— 10.1016/j.jphotobiol.2023.1128... 2024
MCF-772— 10.1016/j.jphotobiol.2023.1128... 2024
MCF-10A72— 10.1016/j.jphotobiol.2023.1128... 2024

🧬 Cell Death Types (1)

Apoptosis high
«This mitochondrial imbalance and apoptotic induction were dually confirmed through various apoptotic assays including Annexin V staining and by mapping the molecular level changes through surface-enha...»

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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