Info
| ID | 5625 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 5} |
| Abbreviation | Ir-2 |
| SMILES | COc1ccc(/C=C/C2=[N+]3C(=C(c4ccccc4)c4c(C)c(C#Cc5ccc(-c6ccccn6)nc5)c(/C=C/c5ccc(OC)cc5)n4[B-]3(F)F)C(C)=C2)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C69H53BF2IrN6O2/(1-70)(2-111)(3-78)(4-83)(5-62)(6-74)(7-85)(8-89)(9-90)(10-96)(11-79)(12-64)(13-120)(14-120)(15-84)(16-73)(17-71)(18-75)(19-82)(20-61)(21-63)(22-67)(23-72)(24-108)(25-55)(26-97)(27-81)(28-66)(29-91)(30-110)(31-92)(32-65)(33-109)(34-77)(35-94)(36-80)(37-56)(38-121)(39-55)(40-56)(41-121)(42-68)(43-93)(44-120)(45-76)(46-88)(47-95)(48-86)(49-55)(50-56)(51-121)(52-87)(53-69)(54-124)(54-125)(54-132)(54-133)(55-100)(56-105)(57-64)(57-98)(58-69)(58-99)(59-60)(59-103)(60-106)(61-70)(61-112)(62-70)(62-108)(63-67)(63-74)(64-74)(65-73)(65-123)(66-72)(66-113)(67-98)(68-87)(68-99)(69-93)(71-100)(71-118)(72-92)(73-104)(75-78)(75-103)(76-77)(76-104)(77-123)(78-119)(79-85)(79-116)(80-89)(80-101)(81-91)(81-109)(82-83)(82-122)(83-107)(84-86)(84-107)(85-107)(86-122)(87-93)(88-94)(88-118)(89-96)(90-95)(90-96)(91-97)(92-110)(94-104)(95-101)(97-117)(98-112)(99-113)(100-115)(101-102)(102-114)(102-115)(103-111)(105-106)(105-114)(106-116)(108-126)(109-128)(110-127)(111-129)(112-126)(113-127)(114-124)(115-125)(116-124)(117-119)(117-128)(118-125)(119-129)(120-131)(121-130)(122-130)(123-131)(126-134)(127-134)(128-134)(129-134)(131-134)
Measurements (2)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| Lung cancer cell | 16 | 9.8 | 10.1039/C4TB00284A | 2014 |
| 1121 | 17 | 7.7 | 10.1039/C4TB00284A | 2014 |
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.
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