1-(3-phenylphenyl)pyridin-1-ium

C17H14N+ — CID 150902257

IUPAC1-(3-phenylphenyl)pyridin-1-ium
SMILESc1ccc(-c2cccc(-[n+]3ccccc3)c2)cc1
InChIInChI=1S/C17H14N/c1-3-8-15(9-4-1)16-10-7-11-17(14-16)18-12-5-2-6-13-18/h1-14H/q+1
InChIKeyLAGFEZXETOMJHT-UHFFFAOYSA-N
MW232.31 g/mol
LogP3.63
Rot. Bonds2

About 1-(3-phenylphenyl)pyridin-1-ium

1-(3-phenylphenyl)pyridin-1-ium (PubChem CID 150902257) has the molecular formula C17H14N+ and a molecular weight of 232.31 g/mol. Its IUPAC name is 1-(3-phenylphenyl)pyridin-1-ium.

Molecular Properties

Compound Name1-(3-phenylphenyl)pyridin-1-ium
PubChem CID150902257
Molecular FormulaC17H14N+
Molecular Weight232.31 g/mol
Exact Mass232.11
IUPAC Name1-(3-phenylphenyl)pyridin-1-ium
SMILESc1ccc(-c2cccc(-[n+]3ccccc3)c2)cc1
InChIInChI=1S/C17H14N/c1-3-8-15(9-4-1)16-10-7-11-17(14-16)18-12-5-2-6-13-18/h1-14H/q+1
InChIKeyLAGFEZXETOMJHT-UHFFFAOYSA-N
XLogP3.63
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenylphenyl)pyridin-1-ium?
The IUPAC name of 1-(3-phenylphenyl)pyridin-1-ium (CID 150902257) is 1-(3-phenylphenyl)pyridin-1-ium.
What is the SMILES notation for 1-(3-phenylphenyl)pyridin-1-ium?
The canonical SMILES for 1-(3-phenylphenyl)pyridin-1-ium is c1ccc(-c2cccc(-[n+]3ccccc3)c2)cc1.
What is the InChIKey of 1-(3-phenylphenyl)pyridin-1-ium?
The InChIKey is LAGFEZXETOMJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N/c1-3-8-15(9-4-1)16-10-7-11-17(14-16)18-12-5-2-6-13-18/h1-14H/q+1.
What are the key properties of 1-(3-phenylphenyl)pyridin-1-ium?
1-(3-phenylphenyl)pyridin-1-ium has a molecular weight of 232.31 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenylphenyl)pyridin-1-ium is sourced from PubChem (CID 150902257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).