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Complex #652 — Ru(2) [C]

2D Structure

Structure
⬇ MOL V3000

Info

ID652
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
AbbreviationC
SMILESCc1ccc(C(C)C)cc1.S=C(N/N=C/c1ccncc1)N/N=C/c1ccc2ccccc2n1.c1ccc(-c2ccccn2)nc1

TUCAN

C37H36N8RuS/(1-52)(2-57)(3-41)(4-44)(5-38)(6-62)(7-43)(8-64)(9-46)(10-67)(11-42)(12-65)(13-47)(14-68)(15-48)(16-49)(17-40)(18-54)(19-45)(20-38)(21-38)(22-39)(23-37)(24-56)(25-55)(26-51)(27-63)(28-66)(29-53)(30-50)(31-39)(32-37)(33-37)(34-39)(35-76)(36-77)(37-58)(38-62)(39-62)(40-41)(40-42)(41-69)(42-57)(43-44)(43-58)(44-59)(45-56)(45-59)(46-48)(46-71)(47-53)(47-72)(48-49)(49-64)(50-53)(50-67)(51-52)(51-70)(52-61)(54-60)(54-68)(55-60)(55-65)(56-58)(57-61)(59-62)(60-66)(61-69)(63-70)(63-75)(64-78)(65-80)(66-81)(67-79)(68-80)(69-74)(70-74)(71-72)(71-78)(72-79)(73-76)(73-77)(73-82)(75-76)(77-81)(78-83)(79-83)(80-83)(81-83)

Measurements (1)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A5498511 10.3390/molecules26040939 2021

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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