Info
| ID | 5612 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 7} |
| Abbreviation | Ir-alkyl |
| SMILES | CCCCCCOc1cc(C)nc(-c2ccccn2)n1.[c-]1cc(N(c2ccccc2)c2ccccc2)ccc1-c1ccc2ccccc2n1.[c-]1cc(N(c2ccccc2)c2ccccc2)ccc1-c1ccc2ccccc2n1 |
TUCAN
C70H59IrN7O/(1-67)(2-82)(3-66)(4-69)(5-84)(6-70)(7-72)(8-74)(9-68)(10-81)(11-64)(12-60)(13-108)(14-102)(15-95)(16-71)(17-73)(18-79)(19-98)(20-78)(21-75)(22-77)(23-85)(24-91)(25-100)(26-83)(27-80)(28-87)(29-128)(30-94)(31-103)(32-104)(33-61)(34-107)(35-109)(36-106)(37-60)(38-96)(39-65)(40-99)(41-86)(42-105)(43-88)(44-90)(45-89)(46-76)(47-101)(48-92)(49-97)(50-108)(51-61)(52-61)(53-93)(54-128)(55-114)(56-107)(57-109)(58-106)(59-60)(60-107)(61-120)(62-98)(62-110)(63-105)(63-111)(64-65)(64-122)(65-110)(66-67)(66-117)(67-70)(68-84)(68-91)(69-70)(69-71)(71-117)(72-73)(72-75)(73-118)(74-75)(74-79)(76-77)(76-111)(77-123)(78-80)(78-83)(79-118)(80-121)(81-95)(81-112)(82-84)(82-119)(83-85)(85-86)(86-121)(87-96)(87-97)(88-99)(88-125)(89-100)(89-113)(90-99)(90-101)(91-112)(92-101)(92-125)(93-120)(93-129)(94-103)(94-114)(95-115)(96-102)(97-113)(98-122)(100-116)(102-124)(103-104)(104-126)(105-123)(106-107)(106-109)(108-109)(108-128)(110-115)(111-116)(112-119)(113-124)(114-133)(115-135)(116-136)(117-131)(118-131)(119-135)(120-134)(121-132)(122-131)(123-132)(124-136)(125-132)(126-127)(126-133)(127-130)(127-134)(128-137)(129-130)(129-137)(133-138)(134-138)(135-138)(136-138)(137-138)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | — | — | 10.1002/anie.201604130 | 2016 |
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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