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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