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Complex #5550 — Ir(3) [IrL4]

2D Structure

Structure
⬇ MOL V3000

Info

ID5550
MetalIr
Oxidation state3
Charge1
Donor atoms{"N": 5}
AbbreviationIrL4
SMILESCc1c(C)c(C)[c-](C)c1C.[Cl-].c1ccc2c(-c3nc4c5cccnc5c5ncccc5c4[nH]3)c[nH]c2c1

TUCAN

C31H28IrN5/(1-29)(2-29)(3-29)(4-30)(5-30)(6-34)(7-38)(8-51)(9-41)(10-52)(11-40)(12-35)(13-37)(14-53)(15-39)(16-36)(17-30)(18-31)(19-31)(20-31)(21-32)(22-32)(23-32)(24-33)(25-33)(26-33)(27-62)(28-61)(29-45)(30-46)(31-47)(32-48)(33-49)(34-35)(34-51)(35-42)(36-37)(36-50)(37-52)(38-39)(38-56)(39-41)(40-41)(40-44)(42-55)(42-57)(43-44)(43-53)(43-59)(44-56)(45-46)(45-47)(46-48)(47-49)(48-49)(50-54)(50-58)(51-60)(52-64)(53-62)(54-55)(54-63)(55-61)(56-62)(57-58)(57-60)(58-64)(59-61)(59-63)(63-65)(64-65)

Measurements (1)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MDA-MB-4685.2— 10.1039/D2RA01036D 2022

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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