Info
| ID | 5402 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"O": 1, "N": 7} |
| Abbreviation | 1-Ir |
| SMILES | [O-]c1ccccc1/C=N/c1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C73H50IrN7O/(1-109)(2-66)(3-71)(4-90)(5-60)(6-111)(7-56)(8-64)(9-63)(10-53)(11-61)(12-78)(13-68)(14-89)(15-67)(16-69)(17-93)(18-92)(19-57)(20-59)(21-91)(22-76)(23-72)(24-95)(25-88)(26-79)(27-58)(28-96)(29-110)(30-80)(31-85)(32-86)(33-62)(34-84)(35-97)(36-75)(37-77)(38-81)(39-83)(40-70)(41-54)(42-55)(43-74)(44-82)(45-73)(46-65)(47-87)(48-94)(49-125)(50-126)(51-59)(51-98)(52-95)(52-99)(53-55)(53-109)(54-87)(54-111)(55-60)(56-61)(56-98)(57-59)(57-61)(58-67)(58-116)(60-112)(62-63)(62-88)(63-99)(64-82)(64-90)(65-70)(65-120)(66-83)(66-121)(67-103)(68-71)(68-100)(69-78)(69-79)(70-117)(71-77)(72-76)(72-89)(73-74)(73-100)(74-77)(75-86)(75-116)(76-104)(78-108)(79-80)(80-91)(81-82)(81-97)(83-114)(84-92)(84-118)(85-93)(85-122)(86-103)(87-94)(88-95)(89-96)(90-107)(91-108)(92-115)(93-119)(94-113)(96-123)(97-107)(98-112)(99-113)(100-105)(101-108)(101-115)(101-121)(102-107)(102-118)(102-120)(103-106)(104-110)(104-123)(105-114)(105-122)(106-117)(106-119)(109-127)(110-129)(111-130)(112-127)(113-130)(114-125)(115-124)(116-129)(117-126)(118-124)(119-128)(120-126)(121-125)(122-128)(123-131)(127-132)(128-132)(129-132)(130-132)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | — | 0.14 | 10.1039/D1SC00126D | 2021 |
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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