home← all complexes Ir builderC^N familiesD-MPNN

Complex #5159 — Ir(3) [Ir5]

2D Structure

Structure
⬇ MOL V3000

Info

ID5159
MetalIr
Oxidation state3
Charge1
Donor atoms{"N": 6}
AbbreviationIr5
SMILESO=C1c2ccccc2C(=O)c2cc(-c3nc4c5cccnc5c5ncccc5c4n3-c3ccc(Oc4ccccc4)cc3)ccc21.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1

TUCAN

C61H38IrN6O3/(1-42)(2-58)(3-56)(4-74)(5-69)(6-46)(7-43)(8-48)(9-70)(10-41)(11-59)(12-55)(13-47)(14-44)(15-84)(16-51)(17-54)(18-53)(19-66)(20-49)(21-85)(22-52)(23-60)(24-63)(25-72)(26-61)(27-50)(28-67)(29-87)(30-57)(31-62)(32-45)(33-65)(34-86)(35-68)(36-71)(37-64)(38-73)(39-46)(39-75)(40-66)(40-76)(41-42)(41-88)(42-43)(43-84)(44-48)(44-75)(45-47)(45-64)(46-50)(47-85)(48-50)(49-63)(49-82)(51-65)(51-76)(52-60)(52-86)(53-59)(53-87)(54-69)(54-70)(55-58)(55-92)(56-67)(56-74)(57-80)(57-81)(58-97)(59-79)(60-78)(61-70)(61-71)(62-72)(62-97)(63-80)(64-93)(65-73)(66-73)(67-83)(68-74)(68-77)(69-99)(71-99)(72-92)(75-88)(76-93)(77-83)(77-96)(78-89)(78-91)(79-90)(79-94)(80-95)(81-82)(81-96)(82-98)(83-98)(84-102)(85-103)(86-104)(87-100)(88-102)(89-90)(89-104)(90-100)(91-94)(91-105)(92-101)(93-103)(94-101)(95-101)(95-105)(96-107)(97-108)(98-106)(99-108)(102-109)(103-109)(104-109)(105-109)(108-109)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A549cisR1.9— 10.1039/C9QI00081J 2019
HeLa2.4— 10.1039/C9QI00081J 2019
A5493— 10.1039/C9QI00081J 2019
HepG23.5— 10.1039/C9QI00081J 2019
LO25.9— 10.1039/C9QI00081J 2019

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
Loading source metadata…
The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.