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Complex #5172 — Ir(3) [Ir5]

2D Structure

Structure
⬇ MOL V3000

Info

ID5172
MetalIr
Oxidation state3
Charge1
Donor atoms{"N": 6}
AbbreviationIr5
SMILESFc1cc(F)c(F)c(-c2nc3c4cccnc4c4ncccc4c3n2-c2ccccc2)c1F.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1

TUCAN

C47H28F4IrN6/(1-32)(2-31)(3-38)(4-43)(5-34)(6-51)(7-47)(8-33)(9-35)(10-50)(11-36)(12-39)(13-60)(14-41)(15-46)(16-62)(17-63)(18-53)(19-61)(20-48)(21-49)(22-44)(23-45)(24-40)(25-42)(26-54)(27-37)(28-52)(29-51)(29-55)(30-52)(30-56)(31-32)(31-64)(32-38)(33-44)(33-50)(34-35)(34-55)(35-43)(36-37)(36-45)(37-56)(38-60)(39-47)(39-48)(40-46)(40-61)(41-54)(41-62)(42-48)(42-49)(43-51)(44-68)(45-52)(46-59)(47-70)(49-70)(50-63)(53-73)(53-74)(54-58)(55-64)(56-68)(57-71)(57-72)(57-75)(58-65)(58-67)(59-66)(59-69)(60-78)(61-80)(62-76)(63-79)(64-78)(65-66)(65-77)(66-81)(67-69)(67-76)(68-79)(69-80)(70-77)(71-77)(71-81)(72-73)(72-83)(73-82)(74-75)(74-85)(75-84)(78-86)(79-86)(80-86)(81-86)

Measurements (6)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A5490.9— 10.1039/C7DT01043E 2017
HeLa1.2— 10.1039/C7DT01043E 2017
HepG21.5— 10.1039/C7DT01043E 2017
BEL-74023.2— 10.1039/C7DT01043E 2017
A549cisR5— 10.1039/C7DT01043E 2017
LO26.1— 10.1039/C7DT01043E 2017

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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