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Complex #141 — Ru(2) [1]

2D Structure

Structure
⬇ MOL V3000

Info

ID141
MetalRu
Oxidation state2
Charge2
Donor atoms{"N": 7}
Abbreviation1
SMILESCC1=CC(C)=[N+]2C1=C(c1ccc(-c3cc(-c4ccccn4)nc(-c4ccccn4)c3)cc1)c1c(C)cc(C)n1[B-]2(F)F.COc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1

TUCAN

C56H45BF2N8ORu/(1-47)(2-47)(3-58)(4-86)(5-75)(6-87)(7-101)(8-66)(9-64)(10-60)(11-55)(12-57)(13-101)(14-48)(15-59)(16-74)(17-53)(18-65)(19-62)(20-47)(21-50)(22-50)(23-51)(24-73)(25-69)(26-54)(27-72)(28-52)(29-68)(30-88)(31-70)(32-50)(33-61)(34-48)(35-71)(36-85)(37-101)(38-48)(39-76)(40-67)(41-56)(42-63)(43-49)(44-49)(45-49)(46-105)(46-106)(46-112)(46-113)(47-91)(48-80)(49-84)(50-100)(51-56)(51-86)(52-77)(52-90)(53-56)(53-96)(54-69)(54-83)(55-71)(55-97)(57-71)(57-85)(58-59)(58-81)(59-78)(60-67)(60-81)(61-64)(61-65)(62-75)(62-99)(63-75)(63-88)(64-98)(65-87)(66-80)(66-91)(67-78)(68-77)(68-89)(69-102)(70-72)(70-102)(72-83)(73-84)(73-100)(74-79)(74-93)(76-79)(76-92)(77-83)(78-79)(80-94)(81-82)(82-94)(82-95)(84-95)(85-103)(86-107)(87-110)(88-104)(89-96)(89-108)(90-97)(90-108)(91-105)(92-98)(92-109)(93-99)(93-109)(94-105)(95-106)(96-107)(97-103)(98-110)(99-104)(100-106)(101-111)(102-111)(107-114)(108-114)(109-114)(110-114)(111-114)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A549960.22 10.1021/acs.inorgchem.1c01850 2021
HeLa0.1 10.1021/acs.inorgchem.1c01850 2021
HPL1D0.74 10.1021/acs.inorgchem.1c01850 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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