home← all complexes Ir builderC^N familiesD-MPNN

Complex #1913 — Ru(2) [3]

2D Structure

Structure
⬇ MOL V3000

Info

ID1913
MetalRu
Oxidation state2
Charge0
Donor atoms{"N": 3}
Abbreviation3
SMILESCC1=NN(c2ccccc2)C(=O)/C1=C(\[N-]c1ccccc1)c1ccccc1.Cc1c(C)c(C)c(C)c(C)c1C.[Cl-]

TUCAN

C35H36N3ORu/(1-51)(2-37)(3-37)(4-37)(5-38)(6-47)(7-38)(8-38)(9-39)(10-39)(11-39)(12-40)(13-40)(14-40)(15-49)(16-56)(17-43)(18-57)(19-44)(20-43)(21-43)(22-54)(23-58)(24-55)(25-50)(26-41)(27-41)(28-48)(29-41)(30-46)(31-42)(32-45)(33-42)(34-52)(35-42)(36-53)(37-59)(38-60)(39-61)(40-62)(41-63)(42-64)(43-70)(44-45)(44-67)(45-46)(46-52)(47-49)(47-65)(48-50)(48-65)(49-51)(50-51)(52-53)(53-67)(54-56)(54-68)(55-58)(55-68)(56-57)(57-58)(59-60)(59-61)(60-62)(61-63)(62-64)(63-64)(65-69)(66-69)(66-70)(66-71)(67-73)(68-72)(69-73)(70-74)(71-72)(71-75)(72-74)(73-76)(74-76)

Measurements (2)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A2780cisR51— 10.1021/om301115e 2013
A2780—— 10.1021/om301115e 2013

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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