(4-ethylphenyl)-diphenylazanium tetrafluoroborate

C20H20BF4N — CID 142696974

IUPAC(4-ethylphenyl)-diphenylazanium tetrafluoroborate
SMILESCCc1ccc([NH+](c2ccccc2)c2ccccc2)cc1.F[B-](F)(F)F
InChIInChI=1S/C20H19N.BF4/c1-2-17-13-15-20(16-14-17)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19;2-1(3,4)5/h3-16H,2H2,1H3;/q;-1/p+1
InChIKeyWKFBWLBUPMVCSO-UHFFFAOYSA-O
MW361.19 g/mol
LogP5.73
Rot. Bonds4

About (4-ethylphenyl)-diphenylazanium tetrafluoroborate

(4-ethylphenyl)-diphenylazanium tetrafluoroborate (PubChem CID 142696974) has the molecular formula C20H20BF4N and a molecular weight of 361.19 g/mol. Its IUPAC name is (4-ethylphenyl)-diphenylazanium tetrafluoroborate.

Molecular Properties

Compound Name(4-ethylphenyl)-diphenylazanium tetrafluoroborate
PubChem CID142696974
Molecular FormulaC20H20BF4N
Molecular Weight361.19 g/mol
Exact Mass361.16
IUPAC Name(4-ethylphenyl)-diphenylazanium tetrafluoroborate
SMILESCCc1ccc([NH+](c2ccccc2)c2ccccc2)cc1.F[B-](F)(F)F
InChIInChI=1S/C20H19N.BF4/c1-2-17-13-15-20(16-14-17)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19;2-1(3,4)5/h3-16H,2H2,1H3;/q;-1/p+1
InChIKeyWKFBWLBUPMVCSO-UHFFFAOYSA-O
XLogP5.73
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.19
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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 (4-ethylphenyl)-diphenylazanium tetrafluoroborate?
The IUPAC name of (4-ethylphenyl)-diphenylazanium tetrafluoroborate (CID 142696974) is (4-ethylphenyl)-diphenylazanium tetrafluoroborate.
What is the SMILES notation for (4-ethylphenyl)-diphenylazanium tetrafluoroborate?
The canonical SMILES for (4-ethylphenyl)-diphenylazanium tetrafluoroborate is CCc1ccc([NH+](c2ccccc2)c2ccccc2)cc1.F[B-](F)(F)F.
What is the InChIKey of (4-ethylphenyl)-diphenylazanium tetrafluoroborate?
The InChIKey is WKFBWLBUPMVCSO-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H19N.BF4/c1-2-17-13-15-20(16-14-17)21(18-9-5-3-6-10-18)19-11-7-4-8-12-19;2-1(3,4)5/h3-16H,2H2,1H3;/q;-1/p+1.
What are the key properties of (4-ethylphenyl)-diphenylazanium tetrafluoroborate?
(4-ethylphenyl)-diphenylazanium tetrafluoroborate has a molecular weight of 361.19 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-diphenylazanium tetrafluoroborate is sourced from PubChem (CID 142696974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).