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Complex #5161 — Ir(3) [2+]

2D Structure

Structure
⬇ MOL V3000

Info

ID5161
MetalIr
Oxidation state3
Charge1
Donor atoms{"N": 6}
Abbreviation2+
SMILESCCCn1cc(-c2[c-]cccc2)nn1.CCCn1cc(-c2[c-]cccc2)nn1.c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1

TUCAN

C40H34IrN10/(1-50)(2-35)(3-55)(4-61)(5-51)(6-40)(7-41)(8-46)(9-35)(10-45)(11-35)(12-36)(13-65)(14-64)(15-53)(16-39)(17-44)(18-36)(19-55)(20-65)(21-62)(22-42)(23-43)(24-52)(25-54)(26-48)(27-47)(28-49)(29-63)(30-56)(31-66)(32-56)(33-36)(34-66)(35-55)(36-56)(37-44)(37-57)(38-47)(38-58)(39-44)(39-46)(40-54)(40-71)(41-46)(41-57)(42-47)(42-48)(43-48)(43-58)(45-49)(45-67)(49-54)(50-52)(50-60)(51-53)(51-64)(52-62)(53-59)(55-65)(56-66)(57-69)(58-72)(59-70)(59-74)(60-68)(60-73)(61-69)(61-77)(62-79)(63-72)(63-78)(64-75)(65-77)(66-78)(67-71)(67-80)(68-74)(68-80)(69-81)(70-73)(70-75)(71-76)(72-82)(73-79)(74-76)(77-83)(78-84)(79-85)(80-85)(81-83)(81-85)(82-84)(82-85)(83-85)(84-85)

Measurements (2)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A27801.5e+02— 10.1039/C8DT00046H 2018
MCF-7—— 10.1039/C8DT00046H 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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