Info
| ID | 4860 |
| Metal | Ir |
| Oxidation state | 3 |
| Charge | 0 |
| Donor atoms | {"N": 3} |
| Abbreviation | Ir1b |
| SMILES | CC1=CC(C)=[N+]2C1=C(c1ccc(-c3ccc([N-]C(=O)c4ccccn4)cc3)cc1)c1c(C)cc(C)n1[B-]2(F)F.Cc1c(C)c(C)[c-](C)c1C.[Cl-] |
TUCAN
C41H41BF2IrN4O/(1-53)(2-47)(3-43)(4-52)(5-43)(6-43)(7-61)(8-76)(9-47)(10-57)(11-46)(12-44)(13-44)(14-44)(15-45)(16-45)(17-56)(18-59)(19-46)(20-45)(21-48)(22-46)(23-55)(24-58)(25-54)(26-48)(27-62)(28-47)(29-48)(30-60)(31-49)(32-51)(33-49)(34-49)(35-51)(36-51)(37-63)(38-50)(39-50)(40-50)(41-64)(42-84)(42-85)(42-89)(42-90)(43-65)(44-66)(45-68)(46-67)(47-79)(48-69)(49-70)(50-81)(51-73)(52-59)(52-77)(53-54)(53-71)(54-80)(55-57)(55-72)(56-67)(56-79)(57-74)(58-59)(58-76)(60-61)(60-80)(61-71)(62-63)(62-72)(63-74)(64-73)(64-81)(65-66)(65-68)(66-69)(67-78)(68-70)(69-70)(71-72)(73-82)(74-75)(75-78)(75-82)(76-86)(77-83)(77-86)(78-84)(79-84)(80-87)(81-85)(82-85)(83-87)(83-88)(86-91)(87-91)
Measurements (1)
| Cell line | IC₅₀ dark (µM) | IC₅₀ light (µM) | DOI | Year |
| NIH-3T3 | 23 | — | 10.1016/j.jinorgbio.2022.11187... | 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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