2-(5-chlorofuran-2-yl)-4,6-diphenylpyrylium perchlorate

C21H14Cl2O6 — CID 134909283

IUPAC2-(5-chlorofuran-2-yl)-4,6-diphenylpyrylium perchlorate
SMILESClc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)[o+]2)o1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C21H14ClO2.ClHO4/c22-21-12-11-18(24-21)20-14-17(15-7-3-1-4-8-15)13-19(23-20)16-9-5-2-6-10-16;2-1(3,4)5/h1-14H;(H,2,3,4,5)/q+1;/p-1
InChIKeyXODQMZSLJDHWKK-UHFFFAOYSA-M
MW433.24 g/mol
LogP2.05
Rot. Bonds3

About 2-(5-chlorofuran-2-yl)-4,6-diphenylpyrylium perchlorate

2-(5-chlorofuran-2-yl)-4,6-diphenylpyrylium perchlorate (PubChem CID 134909283) has the molecular formula C21H14Cl2O6 and a molecular weight of 433.24 g/mol. Its IUPAC name is 2-(5-chlorofuran-2-yl)-4,6-diphenylpyrylium perchlorate.

Molecular Properties

Compound Name2-(5-chlorofuran-2-yl)-4,6-diphenylpyrylium perchlorate
PubChem CID134909283
Molecular FormulaC21H14Cl2O6
Molecular Weight433.24 g/mol
Exact Mass432.02
IUPAC Name2-(5-chlorofuran-2-yl)-4,6-diphenylpyrylium perchlorate
SMILESClc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)[o+]2)o1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C21H14ClO2.ClHO4/c22-21-12-11-18(24-21)20-14-17(15-7-3-1-4-8-15)13-19(23-20)16-9-5-2-6-10-16;2-1(3,4)5/h1-14H;(H,2,3,4,5)/q+1;/p-1
InChIKeyXODQMZSLJDHWKK-UHFFFAOYSA-M
XLogP2.05
TPSA116.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.24
LogP ≤ 52.05
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-(5-bromofuran-2-yl)-4,6-diphenylpyrylium
CID 14173693
2-(4-methylphenyl)-4,6-diphenylpyrylium perchlorate
CID 12627136
2,6-bis(4-methoxyphenyl)-4-phenylpyrylium perchlorate
CID 2884638
2-(4,6-diphenylpyrylium-2-yl)pyridine perchlorate
CID 44887999
tetraphenylboranuide;2,4,6-triphenylpyrylium
CID 139713157
2,4-bis(4-fluorophenyl)-6-phenylpyrylium
CID 134911591
[4-(2,6-diphenylpyrylium-4-yl)phenyl] acetate perchlorate
CID 13402286
9-(2,6-diphenylpyrylium-4-yl)-2,3,5,6-tetrahydro-1,4,7-benzotrioxonine perchlorate
CID 11135007
2-(4,6-diphenylpyrylium-2-yl)-1,3-benzothiazole perchlorate
CID 12694167
1,3-diphenylisochromenylium perchlorate
CID 12710912
2,6-bis(4-ethylphenyl)-4-phenylpyrylium
CID 3309250
magnesium;benzene;2,6-diphenylpyrylium-4-carboxylate;perchlorate
CID 6097243

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorofuran-2-yl)-4,6-diphenylpyrylium perchlorate?
The IUPAC name of 2-(5-chlorofuran-2-yl)-4,6-diphenylpyrylium perchlorate (CID 134909283) is 2-(5-chlorofuran-2-yl)-4,6-diphenylpyrylium perchlorate.
What is the SMILES notation for 2-(5-chlorofuran-2-yl)-4,6-diphenylpyrylium perchlorate?
The canonical SMILES for 2-(5-chlorofuran-2-yl)-4,6-diphenylpyrylium perchlorate is Clc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)[o+]2)o1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 2-(5-chlorofuran-2-yl)-4,6-diphenylpyrylium perchlorate?
The InChIKey is XODQMZSLJDHWKK-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H14ClO2.ClHO4/c22-21-12-11-18(24-21)20-14-17(15-7-3-1-4-8-15)13-19(23-20)16-9-5-2-6-10-16;2-1(3,4)5/h1-14H;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 2-(5-chlorofuran-2-yl)-4,6-diphenylpyrylium perchlorate?
2-(5-chlorofuran-2-yl)-4,6-diphenylpyrylium perchlorate has a molecular weight of 433.24 g/mol, XLogP of 2.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorofuran-2-yl)-4,6-diphenylpyrylium perchlorate is sourced from PubChem (CID 134909283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).