home← all complexes Ir builderC^N familiesD-MPNN

Complex #5460 — Ir(3) [5]

2D Structure

Structure
⬇ MOL V3000

Info

ID5460
MetalIr
Oxidation state3
Charge1
Donor atoms{"N": 4}
Abbreviation5
SMILESCn1[c-][n+](-c2[c-]cc(C(F)(F)F)cc2)cc1.Cn1[c-][n+](-c2[c-]cc(C(F)(F)F)cc2)cc1.c1ccc(-c2ccccn2)nc1

TUCAN

C32H24F6IrN6/(1-41)(2-43)(3-46)(4-29)(5-33)(6-32)(7-41)(8-41)(9-35)(10-38)(11-42)(12-28)(13-27)(14-36)(15-34)(16-42)(17-37)(18-42)(19-47)(20-30)(21-31)(22-44)(23-48)(24-45)(25-32)(25-50)(26-38)(26-51)(27-28)(27-49)(28-29)(29-43)(30-31)(30-46)(31-36)(32-39)(33-34)(33-50)(34-39)(35-37)(35-51)(36-52)(37-40)(38-40)(39-55)(40-56)(41-57)(42-60)(43-61)(44-47)(44-57)(45-48)(45-60)(46-62)(47-58)(48-59)(49-52)(49-61)(50-58)(51-59)(52-62)(53-57)(53-58)(54-59)(54-60)(55-63)(55-64)(55-65)(56-66)(56-67)(56-68)(61-69)(62-69)

Measurements (2)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa50— 10.1039/C3CC40845K 2013
A54963— 10.1039/C3CC40845K 2013

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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