Info
| ID | 5531 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"N": 8} |
| Abbreviation | 1 |
| SMILES | CC1=CC(C)=[N+]2C1=C(c1ccc(N=C=[N-])cc1)c1c(C)cc(C)n1[B-]2(F)F.COc1cc(-c2nc3ccccc3n2C)[c-]c(-c2nc3ccccc3n2C)c1.[c-]1ccccc1-c1ccccn1 |
TUCAN
C54H45BF2IrN9O/(1-67)(2-54)(3-83)(4-70)(5-99)(6-53)(7-55)(8-66)(9-58)(10-57)(11-85)(12-59)(13-47)(14-48)(15-47)(16-56)(17-99)(18-83)(19-64)(20-83)(21-69)(22-84)(23-75)(24-68)(25-84)(26-84)(27-99)(28-47)(29-49)(30-49)(31-61)(32-62)(33-48)(34-48)(35-50)(36-50)(37-71)(38-60)(39-72)(40-49)(41-74)(42-73)(43-65)(44-50)(45-63)(46-102)(46-103)(46-111)(46-112)(47-86)(48-78)(49-88)(50-82)(51-76)(51-77)(52-69)(52-81)(53-76)(53-100)(54-66)(54-74)(55-65)(55-68)(56-59)(56-64)(57-67)(57-70)(58-77)(58-100)(59-85)(60-61)(60-87)(61-79)(62-78)(62-86)(63-82)(63-88)(64-90)(65-69)(66-91)(67-93)(68-81)(70-75)(71-72)(71-79)(72-87)(73-74)(73-95)(75-92)(76-97)(77-98)(78-89)(79-80)(80-89)(80-94)(81-90)(82-94)(83-104)(84-105)(85-107)(86-102)(87-109)(88-103)(89-102)(90-107)(91-95)(91-104)(92-93)(92-105)(93-106)(94-103)(95-108)(96-101)(96-109)(97-104)(97-108)(98-105)(98-106)(99-110)(100-110)(106-113)(107-113)(108-113)(109-113)(110-113)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| HeLa | 59 | 0.78 | 10.1039/C7RA05579J | 2017 |
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.