N-ethyl-2,4,6-triphenylpyridin-1-ium-1-amine tetrafluoroborate

C25H23BF4N2 — CID 15580043

IUPACN-ethyl-2,4,6-triphenylpyridin-1-ium-1-amine tetrafluoroborate
SMILESCCN[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.F[B-](F)(F)F
InChIInChI=1S/C25H23N2.BF4/c1-2-26-27-24(21-14-8-4-9-15-21)18-23(20-12-6-3-7-13-20)19-25(27)22-16-10-5-11-17-22;2-1(3,4)5/h3-19,26H,2H2,1H3;/q+1;-1
InChIKeyGFMNTFJEEGYAFQ-UHFFFAOYSA-N
MW438.28 g/mol
LogP6.84
Rot. Bonds5

About N-ethyl-2,4,6-triphenylpyridin-1-ium-1-amine tetrafluoroborate

N-ethyl-2,4,6-triphenylpyridin-1-ium-1-amine tetrafluoroborate (PubChem CID 15580043) has the molecular formula C25H23BF4N2 and a molecular weight of 438.28 g/mol. Its IUPAC name is N-ethyl-2,4,6-triphenylpyridin-1-ium-1-amine tetrafluoroborate.

Molecular Properties

Compound NameN-ethyl-2,4,6-triphenylpyridin-1-ium-1-amine tetrafluoroborate
PubChem CID15580043
Molecular FormulaC25H23BF4N2
Molecular Weight438.28 g/mol
Exact Mass438.19
IUPAC NameN-ethyl-2,4,6-triphenylpyridin-1-ium-1-amine tetrafluoroborate
SMILESCCN[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.F[B-](F)(F)F
InChIInChI=1S/C25H23N2.BF4/c1-2-26-27-24(21-14-8-4-9-15-21)18-23(20-12-6-3-7-13-20)19-25(27)22-16-10-5-11-17-22;2-1(3,4)5/h3-19,26H,2H2,1H3;/q+1;-1
InChIKeyGFMNTFJEEGYAFQ-UHFFFAOYSA-N
XLogP6.84
TPSA15.91 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.28
LogP ≤ 56.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,4,6-triphenylpyridin-1-ium-1-amine tetrafluoroborate?
The IUPAC name of N-ethyl-2,4,6-triphenylpyridin-1-ium-1-amine tetrafluoroborate (CID 15580043) is N-ethyl-2,4,6-triphenylpyridin-1-ium-1-amine tetrafluoroborate.
What is the SMILES notation for N-ethyl-2,4,6-triphenylpyridin-1-ium-1-amine tetrafluoroborate?
The canonical SMILES for N-ethyl-2,4,6-triphenylpyridin-1-ium-1-amine tetrafluoroborate is CCN[n+]1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.F[B-](F)(F)F.
What is the InChIKey of N-ethyl-2,4,6-triphenylpyridin-1-ium-1-amine tetrafluoroborate?
The InChIKey is GFMNTFJEEGYAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N2.BF4/c1-2-26-27-24(21-14-8-4-9-15-21)18-23(20-12-6-3-7-13-20)19-25(27)22-16-10-5-11-17-22;2-1(3,4)5/h3-19,26H,2H2,1H3;/q+1;-1.
What are the key properties of N-ethyl-2,4,6-triphenylpyridin-1-ium-1-amine tetrafluoroborate?
N-ethyl-2,4,6-triphenylpyridin-1-ium-1-amine tetrafluoroborate has a molecular weight of 438.28 g/mol, XLogP of 6.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,4,6-triphenylpyridin-1-ium-1-amine tetrafluoroborate is sourced from PubChem (CID 15580043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).