home← all complexes Ir builderC^N familiesD-MPNN

Complex #6058 — Ir(3) [Ir3]

2D Structure

Structure
⬇ MOL V3000

Info

ID6058
MetalIr
Oxidation state3
Charge1
Donor atoms{"N": 6}
AbbreviationIr3
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/c2nc3c4cccnc4c4ncccc4c3[nH]2)C(C)(C)CCC1.[c-]1cccc2ccc3cccnc3c12.[c-]1cccc2ccc3cccnc3c12

TUCAN

C58H50IrN6/(1-76)(2-64)(3-61)(4-84)(5-82)(6-72)(7-70)(8-53)(9-53)(10-53)(11-65)(12-80)(13-78)(14-98)(15-75)(16-60)(17-58)(18-59)(19-101)(20-100)(21-52)(22-52)(23-54)(24-66)(25-54)(26-67)(27-51)(28-68)(29-69)(30-51)(31-51)(32-77)(33-55)(34-55)(35-83)(36-63)(37-84)(38-99)(39-74)(40-52)(41-54)(42-81)(43-55)(44-82)(45-73)(46-83)(47-62)(48-79)(49-71)(50-110)(51-92)(52-91)(53-97)(54-93)(55-97)(56-72)(56-85)(57-75)(57-88)(58-65)(58-86)(59-64)(59-86)(60-61)(60-98)(61-94)(62-74)(62-99)(63-79)(63-87)(64-94)(65-72)(66-67)(66-71)(67-92)(68-69)(68-92)(69-90)(70-93)(70-108)(71-93)(73-78)(73-87)(74-96)(75-78)(76-80)(76-100)(77-81)(77-89)(79-96)(80-95)(81-101)(82-83)(82-97)(83-84)(84-91)(85-86)(85-102)(87-88)(88-105)(89-103)(89-107)(90-91)(90-97)(94-102)(95-104)(95-106)(96-105)(98-111)(99-114)(100-112)(101-109)(102-111)(103-104)(103-109)(104-112)(105-114)(106-107)(106-113)(107-110)(108-110)(108-113)(111-115)(112-115)(113-115)(114-115)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
B161.4— 10.1016/j.ejmech.2022.115046 2023
EC1093.6— 10.1016/j.ejmech.2022.115046 2023
BEL-74026.1— 10.1016/j.ejmech.2022.115046 2023
LO27.5— 10.1016/j.ejmech.2022.115046 2023

🧬 Cell Death Types (1)

Apoptosis high
«The experiments of cellular uptake, mitochondrial localization, and intracellular distribution of the drugs proved that the three iridium(III) complexes can enter the mitochondria, leading to the loss...»

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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