2,4,6-triphenyl-2H-pyran tetrafluoroborate

C23H18BF4O- — CID 161055583

IUPAC2,4,6-triphenyl-2H-pyran tetrafluoroborate
SMILESC1=C(c2ccccc2)C=C(c2ccccc2)OC1c1ccccc1.F[B-](F)(F)F
InChIInChI=1S/C23H18O.BF4/c1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)24-23(17-21)20-14-8-3-9-15-20;2-1(3,4)5/h1-17,22H;/q;-1
InChIKeyUCRYSWPIYOAKHQ-UHFFFAOYSA-N
MW397.20 g/mol
LogP7.18
Rot. Bonds3

About 2,4,6-triphenyl-2H-pyran tetrafluoroborate

2,4,6-triphenyl-2H-pyran tetrafluoroborate (PubChem CID 161055583) has the molecular formula C23H18BF4O- and a molecular weight of 397.20 g/mol. Its IUPAC name is 2,4,6-triphenyl-2H-pyran tetrafluoroborate.

Molecular Properties

Compound Name2,4,6-triphenyl-2H-pyran tetrafluoroborate
PubChem CID161055583
Molecular FormulaC23H18BF4O-
Molecular Weight397.20 g/mol
Exact Mass397.14
IUPAC Name2,4,6-triphenyl-2H-pyran tetrafluoroborate
SMILESC1=C(c2ccccc2)C=C(c2ccccc2)OC1c1ccccc1.F[B-](F)(F)F
InChIInChI=1S/C23H18O.BF4/c1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)24-23(17-21)20-14-8-3-9-15-20;2-1(3,4)5/h1-17,22H;/q;-1
InChIKeyUCRYSWPIYOAKHQ-UHFFFAOYSA-N
XLogP7.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.20
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-triphenyl-2H-pyran tetrafluoroborate?
The IUPAC name of 2,4,6-triphenyl-2H-pyran tetrafluoroborate (CID 161055583) is 2,4,6-triphenyl-2H-pyran tetrafluoroborate.
What is the SMILES notation for 2,4,6-triphenyl-2H-pyran tetrafluoroborate?
The canonical SMILES for 2,4,6-triphenyl-2H-pyran tetrafluoroborate is C1=C(c2ccccc2)C=C(c2ccccc2)OC1c1ccccc1.F[B-](F)(F)F.
What is the InChIKey of 2,4,6-triphenyl-2H-pyran tetrafluoroborate?
The InChIKey is UCRYSWPIYOAKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O.BF4/c1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)24-23(17-21)20-14-8-3-9-15-20;2-1(3,4)5/h1-17,22H;/q;-1.
What are the key properties of 2,4,6-triphenyl-2H-pyran tetrafluoroborate?
2,4,6-triphenyl-2H-pyran tetrafluoroborate has a molecular weight of 397.20 g/mol, XLogP of 7.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triphenyl-2H-pyran tetrafluoroborate is sourced from PubChem (CID 161055583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).