Info
| ID | 5826 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 1 |
| Donor atoms | {"N": 4} |
| Abbreviation | Ir-SH |
| SMILES | SCCCCCCOc1ccnc(-c2cc(OCCCCCCS)ccn2)c1.[c-]1ccccc1-c1ccc2ccccc2n1.[c-]1ccccc1-c1ccc2ccccc2n1 |
TUCAN
C52H52IrN4O2S2/(1-55)(2-74)(3-64)(4-73)(5-59)(6-56)(7-69)(8-71)(9-62)(10-57)(11-76)(12-65)(13-63)(14-58)(15-67)(16-72)(17-68)(18-75)(19-80)(20-83)(21-83)(22-99)(23-82)(24-79)(25-103)(26-85)(27-80)(28-99)(29-100)(30-61)(31-60)(32-91)(33-81)(34-79)(35-103)(36-82)(37-85)(38-86)(39-86)(40-81)(41-100)(42-84)(43-104)(44-70)(45-78)(46-77)(47-84)(48-104)(49-92)(50-66)(51-111)(52-112)(53-62)(53-87)(54-67)(54-88)(55-58)(55-93)(56-57)(56-58)(57-89)(59-65)(59-87)(60-95)(60-101)(61-91)(61-101)(62-74)(63-73)(63-96)(64-72)(64-94)(65-74)(66-77)(66-97)(67-75)(68-71)(68-75)(69-72)(69-76)(70-92)(70-102)(71-88)(73-89)(76-90)(77-90)(78-98)(78-102)(79-80)(79-103)(80-83)(81-84)(81-85)(82-83)(82-99)(84-104)(85-86)(86-100)(87-96)(88-97)(89-93)(90-94)(91-107)(92-108)(93-105)(94-106)(95-98)(95-107)(96-105)(97-106)(98-108)(99-109)(100-110)(101-109)(102-110)(103-111)(104-112)(105-113)(106-113)(107-113)(108-113)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| A549 | — | 12 | 10.1002/anie.202205429 | 2022 |
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.