4-(1,1-diphenyl-2H-pyridin-1-ium-4-yl)pyridine

C22H19N2+ — CID 23178610

IUPAC4-(1,1-diphenyl-2H-pyridin-1-ium-4-yl)pyridine
SMILESC1=C[N+](c2ccccc2)(c2ccccc2)CC=C1c1ccncc1
InChIInChI=1S/C22H19N2/c1-3-7-21(8-4-1)24(22-9-5-2-6-10-22)17-13-20(14-18-24)19-11-15-23-16-12-19/h1-17H,18H2/q+1
InChIKeyLQYVFMYCHIZBHX-UHFFFAOYSA-N
MW311.41 g/mol
LogP5.33
Rot. Bonds3

About 4-(1,1-diphenyl-2H-pyridin-1-ium-4-yl)pyridine

4-(1,1-diphenyl-2H-pyridin-1-ium-4-yl)pyridine (PubChem CID 23178610) has the molecular formula C22H19N2+ and a molecular weight of 311.41 g/mol. Its IUPAC name is 4-(1,1-diphenyl-2H-pyridin-1-ium-4-yl)pyridine.

Molecular Properties

Compound Name4-(1,1-diphenyl-2H-pyridin-1-ium-4-yl)pyridine
PubChem CID23178610
Molecular FormulaC22H19N2+
Molecular Weight311.41 g/mol
Exact Mass311.15
IUPAC Name4-(1,1-diphenyl-2H-pyridin-1-ium-4-yl)pyridine
SMILESC1=C[N+](c2ccccc2)(c2ccccc2)CC=C1c1ccncc1
InChIInChI=1S/C22H19N2/c1-3-7-21(8-4-1)24(22-9-5-2-6-10-22)17-13-20(14-18-24)19-11-15-23-16-12-19/h1-17H,18H2/q+1
InChIKeyLQYVFMYCHIZBHX-UHFFFAOYSA-N
XLogP5.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.41
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

4-(1-butyl-1-methyl-2H-pyridin-1-ium-4-yl)pyridine
CID 175395110
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CID 90022724
10-[4-pyridin-4-yl-1-(10-sulfanyldecyl)-2H-pyridin-1-ium-1-yl]decane-1-thiol
CID 87282340
2-[1-[2-(diethylamino)-2-oxoethyl]-4-pyridin-4-yl-2H-pyridin-1-ium-1-yl]-N,N-diethylacetamide
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2-[1-(2-oxo-2-piperidin-1-ylethyl)-4-pyridin-4-yl-2H-pyridin-1-ium-1-yl]-1-piperidin-1-ylethanone;chloride;hydrochloride
CID 173396356
azane;4-phenylpyridine
CID 175775455
4-[4-(benzenesulfonyl)phenyl]pyridine
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bis(4-phenylpyridine);trichloroiridium
CID 58162878
4-[4-(3-phenylphenyl)phenyl]pyridine
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CID 159917709
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CID 23435994
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CID 123254366

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-diphenyl-2H-pyridin-1-ium-4-yl)pyridine?
The IUPAC name of 4-(1,1-diphenyl-2H-pyridin-1-ium-4-yl)pyridine (CID 23178610) is 4-(1,1-diphenyl-2H-pyridin-1-ium-4-yl)pyridine.
What is the SMILES notation for 4-(1,1-diphenyl-2H-pyridin-1-ium-4-yl)pyridine?
The canonical SMILES for 4-(1,1-diphenyl-2H-pyridin-1-ium-4-yl)pyridine is C1=C[N+](c2ccccc2)(c2ccccc2)CC=C1c1ccncc1.
What is the InChIKey of 4-(1,1-diphenyl-2H-pyridin-1-ium-4-yl)pyridine?
The InChIKey is LQYVFMYCHIZBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N2/c1-3-7-21(8-4-1)24(22-9-5-2-6-10-22)17-13-20(14-18-24)19-11-15-23-16-12-19/h1-17H,18H2/q+1.
What are the key properties of 4-(1,1-diphenyl-2H-pyridin-1-ium-4-yl)pyridine?
4-(1,1-diphenyl-2H-pyridin-1-ium-4-yl)pyridine has a molecular weight of 311.41 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-diphenyl-2H-pyridin-1-ium-4-yl)pyridine is sourced from PubChem (CID 23178610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).