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Complex #1878 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID1878
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 8}
Abbreviation1
SMILESO=C(CCCCCCC(=O)Nc1cc2cccnc2c2ncccc12)NO.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1

TUCAN

C40H38N8O3Ru/(1-64)(2-39)(3-41)(4-49)(5-65)(6-43)(7-40)(8-66)(9-68)(10-45)(11-69)(12-59)(13-59)(14-61)(15-57)(16-57)(17-61)(18-60)(19-50)(20-55)(21-47)(22-53)(23-54)(24-44)(25-42)(26-56)(27-56)(28-48)(29-60)(30-67)(31-51)(32-46)(33-52)(34-58)(35-58)(36-80)(37-79)(38-89)(39-40)(39-64)(40-43)(41-53)(41-65)(42-54)(42-66)(43-73)(44-45)(44-74)(45-46)(46-69)(47-48)(47-62)(48-67)(49-50)(49-68)(50-63)(51-53)(51-75)(52-54)(52-76)(55-63)(55-72)(56-57)(56-58)(57-61)(58-59)(59-78)(60-61)(60-77)(62-70)(62-72)(63-71)(64-81)(65-82)(66-83)(67-85)(68-86)(69-84)(70-71)(70-85)(71-86)(72-79)(73-74)(73-81)(74-84)(75-76)(75-82)(76-83)(77-79)(77-87)(78-80)(78-88)(80-89)(81-90)(82-90)(83-90)(84-90)(85-90)(86-90)(89-90)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa1.4e+02— 10.1002/chem.201300814 2013
A549—— 10.1002/chem.201300814 2013
A549cisR—— 10.1002/chem.201300814 2013
HepG2—— 10.1002/chem.201300814 2013
LO2—— 10.1002/chem.201300814 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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