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Complex #6944 — Rh(1) [complex 1]

2D Structure

Structure
⬇ MOL V3000

Info

ID6944
MetalRh
Oxidation state1
Charge0
Donor atoms{"O": 1, "N": 5}
Abbreviationcomplex 1
SMILES[C-]#[O+].[Cl-].c1ccc(-c2cc(-c3cccc(-c4cc(-c5ccccc5)n(-c5ccccc5)n4)n3)nn2-c2ccccc2)cc1

TUCAN

C36H25N5ORh/(1-27)(2-29)(3-40)(4-26)(5-39)(6-43)(7-35)(8-46)(9-44)(10-30)(11-37)(12-42)(13-33)(14-38)(15-32)(16-48)(17-41)(18-31)(19-50)(20-34)(21-36)(22-28)(23-47)(24-45)(25-49)(26-30)(26-55)(27-32)(27-53)(28-32)(28-36)(29-31)(29-49)(30-35)(31-51)(33-35)(33-37)(34-36)(34-53)(37-55)(38-40)(38-43)(39-44)(39-60)(40-52)(41-57)(41-59)(42-54)(42-56)(43-47)(44-46)(45-49)(45-50)(46-58)(47-48)(48-52)(50-51)(51-57)(52-56)(53-63)(54-60)(54-66)(55-64)(56-64)(57-63)(58-59)(58-65)(59-62)(60-65)(61-67)(62-63)(64-66)(65-68)(66-68)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
MCF-74.6— 10.1021/acs.organomet.3c00430 2024
HepG211— 10.1021/acs.organomet.3c00430 2024
HeLa12— 10.1021/acs.organomet.3c00430 2024
HUVEC24— 10.1021/acs.organomet.3c00430 2024

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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