2-(2-methoxyphenyl)-3,5-diphenyl-1H-tetrazol-1-ium tetrafluoroborate

C20H19BF4N4O — CID 140633385

IUPAC2-(2-methoxyphenyl)-3,5-diphenyl-1H-tetrazol-1-ium tetrafluoroborate
SMILESCOc1ccccc1N1[NH2+]C(c2ccccc2)=NN1c1ccccc1.F[B-](F)(F)F
InChIInChI=1S/C20H18N4O.BF4/c1-25-19-15-9-8-14-18(19)24-22-20(16-10-4-2-5-11-16)21-23(24)17-12-6-3-7-13-17;2-1(3,4)5/h2-15H,1H3,(H,21,22);/q;-1/p+1
InChIKeyFHNMWDIWIMDBBI-UHFFFAOYSA-O
MW418.20 g/mol
LogP4.08
Rot. Bonds4

About 2-(2-methoxyphenyl)-3,5-diphenyl-1H-tetrazol-1-ium tetrafluoroborate

2-(2-methoxyphenyl)-3,5-diphenyl-1H-tetrazol-1-ium tetrafluoroborate (PubChem CID 140633385) has the molecular formula C20H19BF4N4O and a molecular weight of 418.20 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-3,5-diphenyl-1H-tetrazol-1-ium tetrafluoroborate.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-3,5-diphenyl-1H-tetrazol-1-ium tetrafluoroborate
PubChem CID140633385
Molecular FormulaC20H19BF4N4O
Molecular Weight418.20 g/mol
Exact Mass418.16
IUPAC Name2-(2-methoxyphenyl)-3,5-diphenyl-1H-tetrazol-1-ium tetrafluoroborate
SMILESCOc1ccccc1N1[NH2+]C(c2ccccc2)=NN1c1ccccc1.F[B-](F)(F)F
InChIInChI=1S/C20H18N4O.BF4/c1-25-19-15-9-8-14-18(19)24-22-20(16-10-4-2-5-11-16)21-23(24)17-12-6-3-7-13-17;2-1(3,4)5/h2-15H,1H3,(H,21,22);/q;-1/p+1
InChIKeyFHNMWDIWIMDBBI-UHFFFAOYSA-O
XLogP4.08
TPSA44.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.20
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-methoxyphenyl)-3,5-diphenyl-1H-tetrazol-1-ium tetrafluoroborate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-3,5-diphenyl-1H-tetrazol-1-ium tetrafluoroborate?
The IUPAC name of 2-(2-methoxyphenyl)-3,5-diphenyl-1H-tetrazol-1-ium tetrafluoroborate (CID 140633385) is 2-(2-methoxyphenyl)-3,5-diphenyl-1H-tetrazol-1-ium tetrafluoroborate.
What is the SMILES notation for 2-(2-methoxyphenyl)-3,5-diphenyl-1H-tetrazol-1-ium tetrafluoroborate?
The canonical SMILES for 2-(2-methoxyphenyl)-3,5-diphenyl-1H-tetrazol-1-ium tetrafluoroborate is COc1ccccc1N1[NH2+]C(c2ccccc2)=NN1c1ccccc1.F[B-](F)(F)F.
What is the InChIKey of 2-(2-methoxyphenyl)-3,5-diphenyl-1H-tetrazol-1-ium tetrafluoroborate?
The InChIKey is FHNMWDIWIMDBBI-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H18N4O.BF4/c1-25-19-15-9-8-14-18(19)24-22-20(16-10-4-2-5-11-16)21-23(24)17-12-6-3-7-13-17;2-1(3,4)5/h2-15H,1H3,(H,21,22);/q;-1/p+1.
What are the key properties of 2-(2-methoxyphenyl)-3,5-diphenyl-1H-tetrazol-1-ium tetrafluoroborate?
2-(2-methoxyphenyl)-3,5-diphenyl-1H-tetrazol-1-ium tetrafluoroborate has a molecular weight of 418.20 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-3,5-diphenyl-1H-tetrazol-1-ium tetrafluoroborate is sourced from PubChem (CID 140633385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).