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

C26H23BF4O4 — CID 11081422

IUPAC2,4,6-tris(4-methoxyphenyl)pyrylium tetrafluoroborate
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3)[o+]c(-c3ccc(OC)cc3)c2)cc1.F[B-](F)(F)F
InChIInChI=1S/C26H23O4.BF4/c1-27-22-10-4-18(5-11-22)21-16-25(19-6-12-23(28-2)13-7-19)30-26(17-21)20-8-14-24(29-3)15-9-20;2-1(3,4)5/h4-17H,1-3H3;/q+1;-1
InChIKeyFJRLSVSVMPBGBH-UHFFFAOYSA-N
MW486.27 g/mol
LogP7.89
Rot. Bonds6

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

2,4,6-tris(4-methoxyphenyl)pyrylium tetrafluoroborate (PubChem CID 11081422) has the molecular formula C26H23BF4O4 and a molecular weight of 486.27 g/mol. Its IUPAC name is 2,4,6-tris(4-methoxyphenyl)pyrylium tetrafluoroborate.

Molecular Properties

Compound Name2,4,6-tris(4-methoxyphenyl)pyrylium tetrafluoroborate
PubChem CID11081422
Molecular FormulaC26H23BF4O4
Molecular Weight486.27 g/mol
Exact Mass486.16
IUPAC Name2,4,6-tris(4-methoxyphenyl)pyrylium tetrafluoroborate
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3)[o+]c(-c3ccc(OC)cc3)c2)cc1.F[B-](F)(F)F
InChIInChI=1S/C26H23O4.BF4/c1-27-22-10-4-18(5-11-22)21-16-25(19-6-12-23(28-2)13-7-19)30-26(17-21)20-8-14-24(29-3)15-9-20;2-1(3,4)5/h4-17H,1-3H3;/q+1;-1
InChIKeyFJRLSVSVMPBGBH-UHFFFAOYSA-N
XLogP7.89
TPSA38.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.27
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methoxyphenyl)pyrylium tetrafluoroborate?
The IUPAC name of 2,4,6-tris(4-methoxyphenyl)pyrylium tetrafluoroborate (CID 11081422) is 2,4,6-tris(4-methoxyphenyl)pyrylium tetrafluoroborate.
What is the SMILES notation for 2,4,6-tris(4-methoxyphenyl)pyrylium tetrafluoroborate?
The canonical SMILES for 2,4,6-tris(4-methoxyphenyl)pyrylium tetrafluoroborate is COc1ccc(-c2cc(-c3ccc(OC)cc3)[o+]c(-c3ccc(OC)cc3)c2)cc1.F[B-](F)(F)F.
What is the InChIKey of 2,4,6-tris(4-methoxyphenyl)pyrylium tetrafluoroborate?
The InChIKey is FJRLSVSVMPBGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23O4.BF4/c1-27-22-10-4-18(5-11-22)21-16-25(19-6-12-23(28-2)13-7-19)30-26(17-21)20-8-14-24(29-3)15-9-20;2-1(3,4)5/h4-17H,1-3H3;/q+1;-1.
What are the key properties of 2,4,6-tris(4-methoxyphenyl)pyrylium tetrafluoroborate?
2,4,6-tris(4-methoxyphenyl)pyrylium tetrafluoroborate has a molecular weight of 486.27 g/mol, XLogP of 7.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(4-methoxyphenyl)pyrylium tetrafluoroborate is sourced from PubChem (CID 11081422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).