2-(4,6-diphenylpyrylium-2-yl)pyridine perchlorate

C22H16ClNO5 — CID 44887999

IUPAC2-(4,6-diphenylpyrylium-2-yl)pyridine perchlorate
SMILES[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2cc(-c3ccccc3)[o+]c(-c3ccccn3)c2)cc1
InChIInChI=1S/C22H16NO.ClHO4/c1-3-9-17(10-4-1)19-15-21(18-11-5-2-6-12-18)24-22(16-19)20-13-7-8-14-23-20;2-1(3,4)5/h1-16H;(H,2,3,4,5)/q+1;/p-1
InChIKeyLOJNBLCUJIAPDV-UHFFFAOYSA-M
MW409.83 g/mol
LogP1.20
Rot. Bonds3

About 2-(4,6-diphenylpyrylium-2-yl)pyridine perchlorate

2-(4,6-diphenylpyrylium-2-yl)pyridine perchlorate (PubChem CID 44887999) has the molecular formula C22H16ClNO5 and a molecular weight of 409.83 g/mol. Its IUPAC name is 2-(4,6-diphenylpyrylium-2-yl)pyridine perchlorate.

Molecular Properties

Compound Name2-(4,6-diphenylpyrylium-2-yl)pyridine perchlorate
PubChem CID44887999
Molecular FormulaC22H16ClNO5
Molecular Weight409.83 g/mol
Exact Mass409.07
IUPAC Name2-(4,6-diphenylpyrylium-2-yl)pyridine perchlorate
SMILES[O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2cc(-c3ccccc3)[o+]c(-c3ccccn3)c2)cc1
InChIInChI=1S/C22H16NO.ClHO4/c1-3-9-17(10-4-1)19-15-21(18-11-5-2-6-12-18)24-22(16-19)20-13-7-8-14-23-20;2-1(3,4)5/h1-16H;(H,2,3,4,5)/q+1;/p-1
InChIKeyLOJNBLCUJIAPDV-UHFFFAOYSA-M
XLogP1.20
TPSA116.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.83
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylphenyl)-4,6-diphenylpyrylium perchlorate
CID 12627136
2-(4,6-diphenylpyrylium-2-yl)-1,3-benzothiazole perchlorate
CID 12694167
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
palladium(2+);bis(2-pyridin-2-ylpyridine);diperchlorate
CID 19810782
4-[4-[2-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364716
azane;cobalt(3+);bis(2-pyridin-2-ylpyridine);triperchlorate
CID 139154451
4-[2-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 122364714
tetraphenylboranuide;2,4,6-triphenylpyrylium
CID 139713157
4-phenyl-2-[6-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-6-pyridin-2-ylpyridine
CID 15788654
2-(4-phenyl-2-pyridin-2-ylphenyl)pyridine
CID 142417656
2,4-bis(4-fluorophenyl)-6-phenylpyrylium
CID 134911591
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diphenylpyrylium-2-yl)pyridine perchlorate?
The IUPAC name of 2-(4,6-diphenylpyrylium-2-yl)pyridine perchlorate (CID 44887999) is 2-(4,6-diphenylpyrylium-2-yl)pyridine perchlorate.
What is the SMILES notation for 2-(4,6-diphenylpyrylium-2-yl)pyridine perchlorate?
The canonical SMILES for 2-(4,6-diphenylpyrylium-2-yl)pyridine perchlorate is [O-][Cl+3]([O-])([O-])[O-].c1ccc(-c2cc(-c3ccccc3)[o+]c(-c3ccccn3)c2)cc1.
What is the InChIKey of 2-(4,6-diphenylpyrylium-2-yl)pyridine perchlorate?
The InChIKey is LOJNBLCUJIAPDV-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H16NO.ClHO4/c1-3-9-17(10-4-1)19-15-21(18-11-5-2-6-12-18)24-22(16-19)20-13-7-8-14-23-20;2-1(3,4)5/h1-16H;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 2-(4,6-diphenylpyrylium-2-yl)pyridine perchlorate?
2-(4,6-diphenylpyrylium-2-yl)pyridine perchlorate has a molecular weight of 409.83 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-diphenylpyrylium-2-yl)pyridine perchlorate is sourced from PubChem (CID 44887999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).