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Complex #5602 — Ir(3) [2b]

2D Structure

Structure
⬇ MOL V3000

Info

ID5602
MetalIr
Oxidation state3
Charge-1
Donor atoms{"N": 4, "O": 2}
Abbreviation2b
SMILESNCCN.O=C([O-])c1cc(-c2[c-]cccc2)nc2ccccc12.O=C([O-])c1cc(-c2[c-]cccc2)nc2ccccc12

TUCAN

C34H26IrN4O4/(1-29)(2-30)(3-36)(4-40)(5-43)(6-46)(7-38)(8-37)(9-31)(10-34)(11-33)(12-53)(13-53)(14-35)(15-41)(16-45)(17-44)(18-32)(19-42)(20-39)(21-54)(22-54)(23-61)(24-61)(25-62)(26-62)(27-30)(27-47)(28-45)(28-51)(29-30)(29-32)(31-32)(31-47)(33-39)(33-51)(34-41)(34-43)(35-42)(35-44)(36-43)(36-50)(37-44)(37-52)(38-39)(38-45)(40-48)(40-57)(41-55)(42-56)(46-49)(46-58)(47-57)(48-50)(48-59)(49-52)(49-60)(50-55)(51-58)(52-56)(53-54)(53-61)(54-62)(55-63)(56-64)(57-63)(58-64)(59-65)(59-66)(60-67)(60-68)(63-69)(64-69)

Measurements (1)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa—— 10.1039/C4DT02890B 2015

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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