home← all complexes D-MPNN

Complex #5138 — Ir(3) [4]

2D Structure

Structure
⬇ MOL V3000

Info

ID5138
MetalIr
Oxidation state3
Charge1
Donor atoms{"N": 6}
Abbreviation4
SMILESCCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1/N=C/c1cc2cccnc2c2ncccc12.Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.[Cl-]

TUCAN

C62H59IrN6O2/(1-63)(2-60)(3-69)(4-60)(5-63)(6-62)(7-77)(8-72)(9-62)(10-68)(11-62)(12-70)(13-60)(14-110)(15-61)(16-110)(17-81)(18-71)(19-84)(20-63)(21-64)(22-108)(23-73)(24-65)(25-86)(26-65)(27-61)(28-107)(29-83)(30-78)(31-85)(32-65)(33-61)(34-74)(35-79)(36-109)(37-64)(38-64)(39-66)(40-111)(41-111)(42-112)(43-112)(44-66)(45-66)(46-67)(47-75)(48-76)(49-80)(50-82)(51-90)(52-88)(53-113)(54-67)(55-113)(56-67)(57-87)(58-89)(59-91)(60-92)(61-93)(62-94)(63-110)(64-111)(65-102)(66-112)(67-113)(68-71)(68-103)(69-70)(69-100)(70-74)(71-99)(72-73)(72-100)(73-74)(75-76)(75-95)(76-114)(77-81)(77-108)(78-79)(78-98)(79-107)(80-114)(80-119)(81-96)(82-83)(82-89)(83-106)(84-96)(84-97)(85-86)(85-99)(86-103)(87-88)(87-104)(88-117)(89-90)(90-105)(91-117)(91-120)(92-93)(92-94)(93-102)(94-101)(95-118)(95-119)(96-116)(97-98)(97-109)(98-115)(99-101)(100-103)(101-102)(104-118)(104-120)(105-106)(105-118)(106-121)(107-122)(108-126)(109-127)(110-123)(111-123)(112-124)(113-124)(114-123)(115-116)(115-122)(116-126)(117-124)(118-125)(119-129)(120-129)(121-125)(121-128)(125-127)(126-130)(127-130)(129-130)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa7.3 10.1039/c8qi00620b 2018
16HBE12 10.1039/c8qi00620b 2018
A54912 10.1039/c8qi00620b 2018
BEAS-2B14 10.1039/c8qi00620b 2018