2,4,6-tris(4-fluorophenyl)pyrylium tetrafluoroborate

C23H14BF7O — CID 11733071

IUPAC2,4,6-tris(4-fluorophenyl)pyrylium tetrafluoroborate
SMILESF[B-](F)(F)F.Fc1ccc(-c2cc(-c3ccc(F)cc3)[o+]c(-c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C23H14F3O.BF4/c24-19-7-1-15(2-8-19)18-13-22(16-3-9-20(25)10-4-16)27-23(14-18)17-5-11-21(26)12-6-17;2-1(3,4)5/h1-14H;/q+1;-1
InChIKeyFRADIBPDZCOIFV-UHFFFAOYSA-N
MW450.16 g/mol
LogP8.28
Rot. Bonds3

About 2,4,6-tris(4-fluorophenyl)pyrylium tetrafluoroborate

2,4,6-tris(4-fluorophenyl)pyrylium tetrafluoroborate (PubChem CID 11733071) has the molecular formula C23H14BF7O and a molecular weight of 450.16 g/mol. Its IUPAC name is 2,4,6-tris(4-fluorophenyl)pyrylium tetrafluoroborate.

Molecular Properties

Compound Name2,4,6-tris(4-fluorophenyl)pyrylium tetrafluoroborate
PubChem CID11733071
Molecular FormulaC23H14BF7O
Molecular Weight450.16 g/mol
Exact Mass450.10
IUPAC Name2,4,6-tris(4-fluorophenyl)pyrylium tetrafluoroborate
SMILESF[B-](F)(F)F.Fc1ccc(-c2cc(-c3ccc(F)cc3)[o+]c(-c3ccc(F)cc3)c2)cc1
InChIInChI=1S/C23H14F3O.BF4/c24-19-7-1-15(2-8-19)18-13-22(16-3-9-20(25)10-4-16)27-23(14-18)17-5-11-21(26)12-6-17;2-1(3,4)5/h1-14H;/q+1;-1
InChIKeyFRADIBPDZCOIFV-UHFFFAOYSA-N
XLogP8.28
TPSA11.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.16
LogP ≤ 58.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(4-fluorophenyl)pyrylium tetrafluoroborate?
The IUPAC name of 2,4,6-tris(4-fluorophenyl)pyrylium tetrafluoroborate (CID 11733071) is 2,4,6-tris(4-fluorophenyl)pyrylium tetrafluoroborate.
What is the SMILES notation for 2,4,6-tris(4-fluorophenyl)pyrylium tetrafluoroborate?
The canonical SMILES for 2,4,6-tris(4-fluorophenyl)pyrylium tetrafluoroborate is F[B-](F)(F)F.Fc1ccc(-c2cc(-c3ccc(F)cc3)[o+]c(-c3ccc(F)cc3)c2)cc1.
What is the InChIKey of 2,4,6-tris(4-fluorophenyl)pyrylium tetrafluoroborate?
The InChIKey is FRADIBPDZCOIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F3O.BF4/c24-19-7-1-15(2-8-19)18-13-22(16-3-9-20(25)10-4-16)27-23(14-18)17-5-11-21(26)12-6-17;2-1(3,4)5/h1-14H;/q+1;-1.
What are the key properties of 2,4,6-tris(4-fluorophenyl)pyrylium tetrafluoroborate?
2,4,6-tris(4-fluorophenyl)pyrylium tetrafluoroborate has a molecular weight of 450.16 g/mol, XLogP of 8.28, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(4-fluorophenyl)pyrylium tetrafluoroborate is sourced from PubChem (CID 11733071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).