Info
| ID | 5449 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 1, "P": 2} |
| Abbreviation | 3 |
| SMILES | CC(C)N(C(C)C)P(=O)(c1ccccc1)c1ccccc1P(C1CCCCC1)C1CCCCC1.Cc1c(C)c(C)[c-](-c2ccc(-c3ccccc3)cc2)c1C.[Cl-] |
TUCAN
C51H66IrNOP2/(1-95)(2-75)(3-94)(4-77)(5-76)(6-94)(7-93)(8-68)(9-68)(10-78)(11-100)(12-81)(13-93)(14-82)(15-68)(16-79)(17-67)(18-67)(19-80)(20-95)(21-97)(22-71)(23-71)(24-111)(25-71)(26-100)(27-101)(28-101)(29-86)(30-87)(31-72)(32-72)(33-88)(34-89)(35-96)(36-96)(37-102)(38-116)(39-83)(40-91)(41-92)(42-72)(43-73)(44-73)(45-73)(46-84)(47-85)(48-98)(49-70)(50-67)(51-98)(52-70)(53-117)(54-90)(55-69)(56-69)(57-69)(58-99)(59-97)(60-102)(61-70)(62-99)(63-112)(64-74)(65-74)(66-74)(67-104)(68-107)(69-106)(70-109)(71-111)(72-111)(73-112)(74-112)(75-81)(75-103)(76-77)(76-105)(77-110)(78-81)(78-82)(79-90)(79-105)(80-82)(80-103)(83-84)(83-113)(84-85)(85-86)(86-114)(87-88)(87-115)(88-89)(89-91)(90-110)(91-92)(92-115)(93-94)(93-116)(94-95)(95-100)(96-100)(96-116)(97-101)(97-102)(98-101)(98-117)(99-102)(99-117)(103-105)(104-106)(104-107)(106-109)(107-108)(108-109)(108-110)(111-118)(112-118)(113-114)(113-120)(114-121)(115-121)(116-120)(117-120)(118-121)(119-121)(120-122)(121-122)
Measurements (4)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 1.6 | — | 10.1021/acs.organomet.8b00402 | 2018 |
| BEAS-2B | 2.8 | — | 10.1021/acs.organomet.8b00402 | 2018 |
| 16HBE | 3 | — | 10.1021/acs.organomet.8b00402 | 2018 |
| A549 | 7.5 | — | 10.1021/acs.organomet.8b00402 | 2018 |
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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