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Complex #5174 — Ir(3) [IrM1]

2D Structure

Structure
⬇ MOL V3000

Info

ID5174
MetalIr
Oxidation state3
Charge1
Donor atoms{"N": 5}
AbbreviationIrM1
SMILESCn1c2ccccc2c2ccnc(-c3ccccn3)c21.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1

TUCAN

C39H29IrN5/(1-32)(2-39)(3-34)(4-59)(5-36)(6-35)(7-62)(8-43)(9-33)(10-52)(11-46)(12-58)(13-61)(14-58)(15-48)(16-49)(17-60)(18-42)(19-51)(20-50)(21-37)(22-58)(23-40)(24-53)(25-41)(26-38)(27-44)(28-45)(29-47)(30-42)(30-54)(31-44)(31-56)(32-36)(32-54)(33-37)(33-59)(34-43)(34-56)(35-36)(35-42)(37-39)(38-45)(38-51)(39-64)(40-47)(40-55)(41-49)(41-60)(43-50)(44-50)(45-66)(46-52)(46-67)(47-52)(48-57)(48-61)(49-53)(51-62)(53-63)(54-64)(55-57)(55-67)(56-66)(57-68)(58-69)(59-70)(60-71)(61-73)(62-72)(63-65)(63-71)(64-70)(65-68)(65-73)(66-72)(67-69)(68-69)(70-74)(71-74)(72-74)(73-74)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa0.94— 10.1039/C8DT00783G 2018
A5491.1— 10.1039/C8DT00783G 2018
A549cisR1.2— 10.1039/C8DT00783G 2018
MCF-71.2— 10.1039/C8DT00783G 2018
HepG21.2— 10.1039/C8DT00783G 2018
LO25.1— 10.1039/C8DT00783G 2018

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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