Info
| ID | 5408 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 8} |
| Abbreviation | Ir1 |
| SMILES | O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCn1ccnc1.O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2CCCn1ccnc1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C66H50IrN8O4/(1-70)(2-61)(3-62)(4-99)(5-97)(6-55)(7-102)(8-71)(9-104)(10-66)(11-67)(12-68)(13-63)(14-69)(15-111)(16-98)(17-103)(18-104)(19-56)(20-79)(21-73)(22-58)(23-105)(24-74)(25-59)(26-57)(27-83)(28-53)(29-54)(30-60)(31-76)(32-81)(33-101)(34-105)(35-80)(36-83)(37-64)(38-112)(39-84)(40-103)(41-72)(42-65)(43-78)(44-84)(45-100)(46-106)(47-82)(48-77)(49-75)(50-106)(51-54)(51-85)(52-77)(52-86)(53-66)(53-67)(54-67)(55-69)(55-80)(56-70)(56-107)(57-71)(57-108)(58-70)(58-99)(59-71)(59-102)(60-68)(60-72)(61-69)(61-89)(62-73)(62-79)(63-74)(63-82)(64-73)(64-88)(65-75)(65-81)(66-85)(68-86)(72-77)(74-76)(75-78)(76-95)(78-96)(79-90)(80-92)(81-93)(82-94)(83-103)(83-104)(84-105)(84-106)(85-107)(86-108)(87-89)(87-109)(87-113)(88-90)(88-113)(89-92)(90-109)(91-95)(91-110)(91-114)(92-115)(93-96)(93-110)(94-95)(94-116)(96-114)(97-98)(97-118)(98-121)(99-122)(100-101)(100-123)(101-119)(102-124)(103-117)(104-118)(105-119)(106-120)(107-122)(108-124)(109-117)(110-120)(111-118)(111-121)(112-119)(112-123)(113-127)(114-128)(115-117)(115-125)(116-120)(116-126)(121-129)(122-129)(123-129)(124-129)
Measurements (5)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549cisR | 2.5 | — | 10.1039/D1CC02178H | 2021 |
| HepG2 | 3.8 | — | 10.1039/D1CC02178H | 2021 |
| HeLa | 6.6 | — | 10.1039/D1CC02178H | 2021 |
| A549 | 7.3 | — | 10.1039/D1CC02178H | 2021 |
| LO2 | 9.5 | — | 10.1039/D1CC02178H | 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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