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Complex #388 — Ru(3) [3]

2D Structure

Structure
⬇ MOL V3000

Info

ID388
MetalRu
Oxidation state3
Charge0
Donor atoms{"N": 5, "O": 1, "P": 2}
Abbreviation3
SMILESO=c1[nH]cc(/C=N\N=C(/[O-])c2ccccn2)c(=O)[nH]1.[Cl-].[Cl-].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

TUCAN

C47H38N5O3P2Ru/(1-39)(2-42)(3-40)(4-46)(5-47)(6-41)(7-48)(8-44)(9-49)(10-43)(11-75)(12-57)(13-53)(14-54)(15-45)(16-50)(17-51)(18-52)(19-55)(20-58)(21-60)(22-63)(23-64)(24-56)(25-62)(26-59)(27-67)(28-68)(29-66)(30-65)(31-69)(32-61)(33-70)(34-71)(35-73)(36-74)(37-88)(38-87)(39-42)(39-80)(40-46)(40-80)(41-47)(41-81)(42-44)(43-48)(43-81)(44-46)(45-53)(45-82)(47-49)(48-49)(50-54)(50-82)(51-55)(51-83)(52-60)(52-83)(53-57)(54-57)(55-58)(56-63)(56-84)(58-60)(59-64)(59-84)(61-70)(61-74)(62-63)(62-64)(65-67)(65-85)(66-67)(66-68)(68-69)(69-85)(70-71)(71-76)(72-73)(72-75)(72-77)(73-89)(74-86)(75-88)(76-78)(76-86)(77-87)(77-91)(78-90)(78-92)(79-87)(79-88)(79-93)(80-94)(81-94)(82-94)(83-95)(84-95)(85-95)(89-90)(89-96)(90-96)(94-96)(95-96)

Measurements (1)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HCC7030 10.1016/j.poly.2020.114569 2020

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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