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Complex #5555 — Ir(3) [OnIr2]

Info

ID5555
MetalIr
Oxidation state3
Charge1
Donor atoms{"N": 6}
AbbreviationOnIr2
SMILESFc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)c(F)c1.c1ccc2sc(-c3ccnc(-c4cc(-c5nc6ccccc6s5)ccn4)c3)nc2c1
3D Structure✓ Available (RDKit + xTB GFN2)

TUCAN

C46H26F4IrN6S2/(1-34)(2-33)(3-39)(4-55)(5-38)(6-45)(7-47)(8-48)(9-36)(10-56)(11-43)(12-29)(13-57)(14-35)(15-30)(16-49)(17-40)(18-44)(19-41)(20-46)(21-32)(22-42)(23-31)(24-58)(25-50)(26-37)(27-36)(27-51)(28-50)(28-54)(29-33)(29-38)(30-44)(30-46)(31-52)(31-56)(32-37)(32-49)(33-63)(34-47)(34-69)(35-52)(35-61)(36-67)(37-64)(38-57)(39-53)(39-59)(40-41)(40-60)(41-47)(42-44)(42-70)(43-53)(43-55)(45-65)(45-67)(46-62)(48-66)(48-68)(49-58)(50-68)(51-63)(51-65)(52-71)(53-72)(54-64)(54-66)(55-73)(56-77)(57-75)(58-78)(59-61)(59-73)(60-69)(60-76)(61-77)(62-70)(62-74)(63-75)(64-78)(65-79)(66-80)(67-81)(68-82)(69-84)(70-83)(71-74)(71-83)(72-76)(72-84)(75-85)(76-85)(77-85)(78-85)(83-85)(84-85)

Measurements (23)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
A549cisR0.75 10.1039/C8SC01142G 2018
HeLa0.75 10.1039/C8SC01142G 2018
HCT-1161.3 10.1039/C8SC01142G 2018
NCI-H4601.3 10.1039/C8SC01142G 2018
KB-3-11.4 10.1039/C8SC01142G 2018
H460/MX201.4 10.1039/C8SC01142G 2018
KB-CV601.6 10.1039/C8SC01142G 2018
BEL-74041.6 10.1039/C8SC01142G 2018
KCP41.7 10.1039/C8SC01142G 2018
SW6201.8 10.1039/C8SC01142G 2018
KB-C21.8 10.1039/C8SC01142G 2018
HepG21.8 10.1039/C8SC01142G 2018
KB/ATO1.9 10.1039/C8SC01142G 2018
MCF-71.9 10.1039/C8SC01142G 2018
MCF-7/DOX1.9 10.1039/C8SC01142G 2018
BEL-7404R2.2 10.1039/C8SC01142G 2018
BEL-74022.4 10.1039/C8SC01142G 2018
SK-OV-32.5 10.1039/C8SC01142G 2018
A5492.9 10.1039/C8SC01142G 2018
SKOV/Pt2.9 10.1039/C8SC01142G 2018
HEK2933.4 10.1039/C8SC01142G 2018
SW620/AD3007.4 10.1039/C8SC01142G 2018
HL-77028.9 10.1039/C8SC01142G 2018
🔬 3D Structure (xTB GFN2)