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Complex #4951 — Ir(3) [3]

2D Structure

Structure
⬇ MOL V3000

Info

ID4951
MetalIr
Oxidation state3
Charge1
Donor atoms{"N": 4}
Abbreviation3
SMILES[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccc(C(=C(c2ccccc2)c2ccc(-c3ccnc(-c4ccccn4)c3)cc2)c2ccccc2)cc1

TUCAN

C58H42IrN4/(1-66)(2-47)(3-53)(4-95)(5-51)(6-49)(7-78)(8-75)(9-94)(10-69)(11-62)(12-46)(13-70)(14-54)(15-55)(16-73)(17-80)(18-50)(19-45)(20-52)(21-93)(22-71)(23-58)(24-60)(25-57)(26-65)(27-63)(28-77)(29-76)(30-61)(31-59)(32-64)(33-68)(34-67)(35-48)(36-74)(37-81)(38-56)(39-72)(40-79)(41-96)(42-82)(43-48)(43-91)(44-72)(44-92)(45-60)(45-86)(46-53)(46-54)(47-53)(47-83)(48-55)(49-55)(49-78)(50-56)(50-94)(51-54)(51-83)(52-87)(52-93)(56-75)(57-60)(57-67)(58-62)(58-88)(59-87)(59-97)(61-63)(61-89)(62-90)(63-77)(64-76)(64-89)(65-71)(65-88)(66-69)(66-70)(67-68)(68-86)(69-98)(70-95)(71-90)(72-74)(73-74)(73-80)(75-99)(76-77)(78-91)(79-81)(79-82)(80-92)(81-100)(82-96)(83-85)(84-85)(84-86)(84-90)(85-89)(87-88)(91-99)(92-100)(93-102)(94-101)(95-103)(96-104)(97-98)(97-102)(98-103)(99-101)(100-104)(101-105)(102-105)(103-105)(104-105)

Measurements (3)

Cell lineIC₅₀ dark (µM)IC₅₀ light (µM)DOIYear
16HBE21— 10.1002/cbic.201900268 2019
A54933— 10.1002/cbic.201900268 2019
BEAS-2B40— 10.1002/cbic.201900268 2019

🧬 Cell Death Types (1)

Apoptosis high
«Complexes induce a dose-dependent increase in the percentage of apoptotic cells after 24 h of treatment. The percentage of early apoptosis and late apoptosis cells increased from 1.7% and 9.8% to 8.1%...»

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
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