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Complex #5182 — Ir(3) [Ir5]

2D Structure

Structure
⬇ MOL V3000

Info

ID5182
MetalIr
Oxidation state3
Charge1
Donor atoms{"N": 5, "P": 1}
AbbreviationIr5
SMILESC(=N/c1ccccc1)\c1ccccc1P(c1ccccc1)c1ccccc1.[c-]1ccccc1-n1cccn1.[c-]1ccccc1-n1cccn1

TUCAN

C43H34IrN5P/(1-39)(2-41)(3-43)(4-47)(5-42)(6-48)(7-67)(8-62)(9-69)(10-38)(11-50)(12-68)(13-63)(14-52)(15-37)(16-45)(17-49)(18-71)(19-44)(20-64)(21-56)(22-53)(23-40)(24-58)(25-54)(26-60)(27-46)(28-55)(29-61)(30-65)(31-57)(32-70)(33-51)(34-59)(35-42)(35-72)(36-62)(36-73)(37-39)(37-41)(38-67)(38-68)(39-72)(40-57)(40-63)(41-42)(43-47)(43-56)(44-46)(44-55)(45-49)(45-54)(46-60)(47-75)(48-50)(48-56)(49-74)(50-75)(51-54)(51-59)(52-53)(52-77)(53-65)(55-76)(57-62)(58-69)(58-70)(59-74)(60-66)(61-64)(61-65)(63-73)(64-77)(66-71)(66-76)(67-81)(68-78)(69-82)(70-79)(71-80)(72-78)(73-79)(74-80)(75-83)(76-83)(77-83)(78-81)(79-82)(80-84)(81-84)(82-84)(83-84)

Measurements (7)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HCT-1164.4— 10.1039/c9qi01492f 2020
HepG24.8— 10.1039/c9qi01492f 2020
4T14.9— 10.1039/c9qi01492f 2020
HT-294.9— 10.1039/c9qi01492f 2020
CT-265.3— 10.1039/c9qi01492f 2020
A5495.5— 10.1039/c9qi01492f 2020
HeLa5.5— 10.1039/c9qi01492f 2020

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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