3-methyl-2,6-diphenylpyrylium perchlorate

C18H15ClO5 — CID 14568808

IUPAC3-methyl-2,6-diphenylpyrylium perchlorate
SMILESCc1ccc(-c2ccccc2)[o+]c1-c1ccccc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C18H15O.ClHO4/c1-14-12-13-17(15-8-4-2-5-9-15)19-18(14)16-10-6-3-7-11-16;2-1(3,4)5/h2-13H,1H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyAWAQCBKPGRZVBH-UHFFFAOYSA-M
MW346.77 g/mol
LogP0.45
Rot. Bonds2

About 3-methyl-2,6-diphenylpyrylium perchlorate

3-methyl-2,6-diphenylpyrylium perchlorate (PubChem CID 14568808) has the molecular formula C18H15ClO5 and a molecular weight of 346.77 g/mol. Its IUPAC name is 3-methyl-2,6-diphenylpyrylium perchlorate.

Molecular Properties

Compound Name3-methyl-2,6-diphenylpyrylium perchlorate
PubChem CID14568808
Molecular FormulaC18H15ClO5
Molecular Weight346.77 g/mol
Exact Mass346.06
IUPAC Name3-methyl-2,6-diphenylpyrylium perchlorate
SMILESCc1ccc(-c2ccccc2)[o+]c1-c1ccccc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C18H15O.ClHO4/c1-14-12-13-17(15-8-4-2-5-9-15)19-18(14)16-10-6-3-7-11-16;2-1(3,4)5/h2-13H,1H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyAWAQCBKPGRZVBH-UHFFFAOYSA-M
XLogP0.45
TPSA103.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-phenylpyrylium perchlorate
CID 134911030
6-(4-chlorophenyl)-3-methyl-2,4-diphenylpyrylium perchlorate
CID 12706208
1,3-diphenylisochromenylium perchlorate
CID 12710912
2,3-diethyl-6-phenylpyrylium perchlorate
CID 134911370
2-(4-methylphenyl)-4,6-diphenylpyrylium perchlorate
CID 12627136
2,4,6-triphenylpyrylium-3-carbaldehyde perchlorate
CID 14343704
4-(4-methylphenyl)-2,3,6-triphenylpyrylium
CID 3459815
1-methyl-2-[4-(2-phenylphenyl)phenyl]benzene
CID 58390061
6-methyl-4-(4-methylphenyl)-2,3-diphenylchromenylium perchlorate
CID 134911741
2-phenylchromenylium
CID 159562545
1-methyl-4,8-diphenylazulene
CID 86056773
7-methyl-2-phenylchromenylium-6-ol
CID 134912245

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,6-diphenylpyrylium perchlorate?
The IUPAC name of 3-methyl-2,6-diphenylpyrylium perchlorate (CID 14568808) is 3-methyl-2,6-diphenylpyrylium perchlorate.
What is the SMILES notation for 3-methyl-2,6-diphenylpyrylium perchlorate?
The canonical SMILES for 3-methyl-2,6-diphenylpyrylium perchlorate is Cc1ccc(-c2ccccc2)[o+]c1-c1ccccc1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 3-methyl-2,6-diphenylpyrylium perchlorate?
The InChIKey is AWAQCBKPGRZVBH-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H15O.ClHO4/c1-14-12-13-17(15-8-4-2-5-9-15)19-18(14)16-10-6-3-7-11-16;2-1(3,4)5/h2-13H,1H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 3-methyl-2,6-diphenylpyrylium perchlorate?
3-methyl-2,6-diphenylpyrylium perchlorate has a molecular weight of 346.77 g/mol, XLogP of 0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,6-diphenylpyrylium perchlorate is sourced from PubChem (CID 14568808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).