home← all complexes Ir builderC^N familiesD-MPNN

Complex #5822 — Ir(3) [3b]

2D Structure

Structure
⬇ MOL V3000

Info

ID5822
MetalIr
Oxidation state3
Charge2
Donor atoms{"N": 6}
Abbreviation3b
SMILESC=C/[C-]=C(\C)c1nc2ccccc2[nH]1.C=C/[C-]=C(\C)c1nc2ccccc2[nH]1.CCCCn1c(-c2ccc3ccccc3n2)nc2cc(C(=O)NCCCNC(=O)C[n+]3ccc(/C(C#N)=C4/C=C(C)c5ccccc5O4)cc3)ccc21

TUCAN

C67H62IrN11O3/(1-67)(2-97)(3-85)(4-92)(5-88)(6-66)(7-63)(8-63)(9-94)(10-97)(11-87)(12-74)(13-91)(14-83)(15-75)(16-76)(17-72)(18-93)(19-80)(20-111)(21-112)(22-71)(23-82)(24-86)(25-112)(26-98)(27-113)(28-109)(29-65)(30-114)(31-114)(32-65)(33-113)(34-84)(35-79)(36-65)(37-99)(38-67)(39-98)(40-110)(41-67)(42-111)(43-81)(44-99)(45-73)(46-66)(47-66)(48-95)(49-68)(50-68)(51-77)(52-64)(53-90)(54-96)(55-89)(56-68)(57-64)(58-78)(59-132)(60-131)(61-133)(62-134)(63-75)(64-89)(65-104)(66-102)(67-98)(68-107)(69-75)(69-102)(70-89)(70-107)(71-73)(71-120)(72-94)(72-119)(73-92)(74-100)(74-115)(76-77)(76-116)(77-94)(78-90)(78-118)(79-93)(79-103)(80-82)(80-101)(81-84)(81-117)(82-87)(83-106)(83-109)(84-100)(85-87)(85-127)(86-106)(86-110)(88-104)(88-126)(90-96)(91-92)(91-103)(93-121)(95-96)(95-122)(97-111)(97-112)(98-99)(99-114)(100-128)(101-104)(101-127)(102-123)(103-120)(105-106)(105-108)(105-126)(107-125)(108-130)(109-135)(110-135)(111-133)(112-132)(113-129)(113-135)(114-136)(115-117)(115-137)(116-119)(116-131)(117-136)(118-122)(118-134)(119-139)(120-138)(121-124)(121-138)(122-140)(123-131)(123-139)(124-136)(124-137)(125-134)(125-140)(126-143)(127-143)(128-132)(128-141)(129-133)(129-142)(137-144)(138-144)(139-144)(140-144)(143-144)

Measurements (5)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A375—78 10.1021/acs.jmedchem.3c00189 2023
SK-MEL-28—2.1 10.1021/acs.jmedchem.3c00189 2023
HeLa—18 10.1021/acs.jmedchem.3c00189 2023
A2780—7.1 10.1021/acs.jmedchem.3c00189 2023
A2780cisR—61 10.1021/acs.jmedchem.3c00189 2023

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.