home← all complexes Ir builderC^N familiesD-MPNN

Complex #5351 — Ir(3) [Ir4]

2D Structure

Structure
⬇ MOL V3000

Info

ID5351
MetalIr
Oxidation state3
Charge1
Donor atoms{"N": 4}
AbbreviationIr4
SMILESC/C(=N\c1c(C(C)C)cccc1C(C)C)[n+]1[c-]n(C)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1

TUCAN

C40H41IrN5/(1-74)(2-53)(3-73)(4-52)(5-76)(6-72)(7-59)(8-49)(9-72)(10-72)(11-54)(12-62)(13-50)(14-55)(15-42)(16-46)(17-42)(18-56)(19-42)(20-43)(21-70)(22-43)(23-43)(24-58)(25-61)(26-60)(27-64)(28-44)(29-57)(30-46)(31-44)(32-44)(33-75)(34-51)(35-63)(36-65)(37-71)(38-45)(39-46)(40-45)(41-45)(42-70)(43-70)(44-71)(45-71)(46-81)(47-52)(47-66)(48-58)(48-69)(49-52)(49-53)(50-53)(50-66)(51-54)(51-61)(54-77)(55-56)(55-67)(56-57)(57-68)(58-62)(59-62)(59-63)(60-65)(60-79)(61-73)(63-69)(64-65)(64-75)(66-77)(67-70)(67-78)(68-71)(68-78)(69-79)(72-83)(73-85)(74-76)(74-82)(75-86)(76-83)(77-85)(78-84)(79-86)(80-82)(80-83)(81-82)(81-84)(84-87)(85-87)(86-87)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa2.2— 10.1016/j.dyepig.2018.09.044 2019
16HBE2.2— 10.1016/j.dyepig.2018.09.044 2019
BEAS-2B2.2— 10.1016/j.dyepig.2018.09.044 2019
A5492.3— 10.1016/j.dyepig.2018.09.044 2019

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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