home← all complexes Ir builderC^N familiesD-MPNN

Complex #743 — Ru(2) [3]

2D Structure

Structure
⬇ MOL V3000

Info

ID743
MetalRu
Oxidation state2
Charge1
Donor atoms{"N": 6, "O": 1}
Abbreviation3
SMILESCc1cc(C)nc(N=Cc2ccccc2[O-])c1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1

TUCAN

C34H29N6ORu/(1-44)(2-52)(3-32)(4-53)(5-33)(6-54)(7-35)(8-55)(9-36)(10-31)(11-49)(12-31)(13-31)(14-34)(15-42)(16-46)(17-37)(18-39)(19-30)(20-41)(21-40)(22-38)(23-45)(24-47)(25-48)(26-30)(27-30)(28-56)(29-43)(30-50)(31-57)(32-33)(32-34)(33-52)(34-58)(35-37)(35-53)(36-38)(36-54)(37-42)(38-46)(39-50)(39-57)(40-41)(40-49)(41-43)(42-59)(43-51)(44-50)(44-62)(45-47)(45-55)(46-60)(47-48)(48-61)(49-63)(51-56)(51-63)(52-65)(53-66)(54-67)(55-68)(56-69)(57-64)(58-59)(58-65)(59-66)(60-61)(60-67)(61-68)(62-64)(62-69)(63-70)(64-71)(65-71)(66-71)(67-71)(68-71)(69-71)

Measurements (7)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
EVSA-T1.8 10.1021/acs.inorgchem.1c03399 2022
M194.1 10.1021/acs.inorgchem.1c03399 2022
MCF-74.4 10.1021/acs.inorgchem.1c03399 2022
WiDr5.7 10.1021/acs.inorgchem.1c03399 2022
IGROV-17 10.1021/acs.inorgchem.1c03399 2022
NCI-H22616 10.1021/acs.inorgchem.1c03399 2022
A49843 10.1021/acs.inorgchem.1c03399 2022

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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