Info
| ID | 5454 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 7} |
| Abbreviation | 2b |
| SMILES | CCCCNCc1c[c-]c(-c2ccccn2)cc1.CCCCNCc1c[c-]c(-c2ccccn2)cc1.Cc1ccnc(-c2cc(C(=O)NCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccn2)c1 |
TUCAN
C55H54F17IrN7O/(1-55)(2-93)(3-77)(4-65)(5-79)(6-67)(7-92)(8-92)(9-63)(10-68)(11-77)(12-55)(13-79)(14-55)(15-88)(16-80)(17-61)(18-94)(19-93)(20-96)(21-96)(22-74)(23-94)(24-80)(25-56)(26-64)(27-57)(28-57)(29-57)(30-89)(31-60)(32-71)(33-95)(34-95)(35-78)(36-78)(37-76)(38-76)(39-73)(40-91)(41-72)(42-62)(43-66)(44-56)(45-81)(46-90)(47-70)(48-69)(49-75)(50-56)(51-81)(52-111)(53-112)(54-110)(55-77)(56-80)(57-83)(58-61)(58-85)(59-74)(59-87)(60-83)(60-89)(61-82)(62-63)(62-88)(63-67)(64-68)(64-70)(65-66)(65-85)(66-82)(67-97)(68-98)(69-75)(69-86)(70-90)(71-84)(71-100)(72-84)(72-91)(73-83)(73-99)(74-86)(75-87)(76-78)(76-104)(77-79)(78-95)(79-93)(80-81)(81-96)(82-92)(84-101)(85-97)(86-94)(87-98)(88-114)(89-113)(90-115)(91-116)(92-111)(93-111)(94-112)(95-110)(96-112)(97-114)(98-115)(99-100)(99-113)(100-116)(101-110)(101-117)(102-103)(102-104)(102-122)(102-128)(103-105)(103-118)(103-123)(104-120)(104-134)(105-106)(105-125)(105-126)(106-107)(106-129)(106-130)(107-108)(107-131)(107-132)(108-109)(108-121)(108-133)(109-119)(109-124)(109-127)(113-135)(114-135)(115-135)(116-135)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 5.1 | — | 10.1039/C1CC11423A | 2011 |
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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The generated SVG will appear here. The legacy ligand image above stays visible for side-by-side review.