home← all complexes D-MPNN

Complex #5136 — Ir(3) [2]

2D Structure

Structure
⬇ MOL V3000

Info

ID5136
MetalIr
Oxidation state3
Charge1
Donor atoms{"N": 6}
Abbreviation2
SMILESCCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21c2ccccc2C(=O)N1/N=C/c1ccnc(-c2cc(C)ccn2)c1.Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.[Cl-]

TUCAN

C61H61IrN6O2/(1-66)(2-62)(3-72)(4-62)(5-111)(6-64)(7-68)(8-86)(9-64)(10-71)(11-64)(12-73)(13-62)(14-111)(15-63)(16-66)(17-82)(18-68)(19-74)(20-81)(21-78)(22-77)(23-68)(24-84)(25-65)(26-83)(27-65)(28-63)(29-108)(30-85)(31-65)(32-63)(33-89)(34-80)(35-75)(36-93)(37-87)(38-79)(39-66)(40-67)(41-67)(42-67)(43-69)(44-112)(45-112)(46-113)(47-113)(48-69)(49-114)(50-114)(51-69)(52-109)(53-110)(54-90)(55-88)(56-70)(57-70)(58-76)(59-91)(60-92)(61-70)(62-95)(63-97)(64-94)(65-96)(66-111)(67-112)(68-100)(69-113)(70-114)(71-74)(71-101)(72-73)(72-102)(73-75)(74-103)(75-84)(76-77)(76-90)(77-98)(78-79)(78-99)(79-117)(80-100)(80-108)(81-100)(81-115)(82-106)(82-116)(83-85)(83-101)(84-86)(85-103)(86-102)(87-88)(87-105)(88-118)(89-117)(89-120)(90-91)(91-107)(92-106)(92-109)(93-118)(93-121)(94-95)(94-104)(95-97)(96-97)(96-104)(98-107)(98-119)(99-119)(99-120)(101-102)(103-104)(105-119)(105-121)(106-110)(107-122)(108-123)(109-127)(110-128)(111-124)(112-124)(113-125)(114-125)(115-116)(115-123)(116-127)(117-124)(118-125)(119-126)(120-130)(121-130)(122-126)(122-129)(126-128)(127-131)(128-131)(130-131)

Measurements (4)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
HeLa4.2 10.1039/c8qi00620b 2018
A5494.3 10.1039/c8qi00620b 2018
BEAS-2B7.2 10.1039/c8qi00620b 2018
16HBE7.7 10.1039/c8qi00620b 2018