2,4,6-triphenylpyrylium-3-carbaldehyde perchlorate

C24H17ClO6 — CID 14343704

IUPAC2,4,6-triphenylpyrylium-3-carbaldehyde perchlorate
SMILESO=Cc1c(-c2ccccc2)cc(-c2ccccc2)[o+]c1-c1ccccc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C24H17O2.ClHO4/c25-17-22-21(18-10-4-1-5-11-18)16-23(19-12-6-2-7-13-19)26-24(22)20-14-8-3-9-15-20;2-1(3,4)5/h1-17H;(H,2,3,4,5)/q+1;/p-1
InChIKeyCPJADJRLKZYWRK-UHFFFAOYSA-M
MW436.85 g/mol
LogP1.62
Rot. Bonds4

About 2,4,6-triphenylpyrylium-3-carbaldehyde perchlorate

2,4,6-triphenylpyrylium-3-carbaldehyde perchlorate (PubChem CID 14343704) has the molecular formula C24H17ClO6 and a molecular weight of 436.85 g/mol. Its IUPAC name is 2,4,6-triphenylpyrylium-3-carbaldehyde perchlorate.

Molecular Properties

Compound Name2,4,6-triphenylpyrylium-3-carbaldehyde perchlorate
PubChem CID14343704
Molecular FormulaC24H17ClO6
Molecular Weight436.85 g/mol
Exact Mass436.07
IUPAC Name2,4,6-triphenylpyrylium-3-carbaldehyde perchlorate
SMILESO=Cc1c(-c2ccccc2)cc(-c2ccccc2)[o+]c1-c1ccccc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C24H17O2.ClHO4/c25-17-22-21(18-10-4-1-5-11-18)16-23(19-12-6-2-7-13-19)26-24(22)20-14-8-3-9-15-20;2-1(3,4)5/h1-17H;(H,2,3,4,5)/q+1;/p-1
InChIKeyCPJADJRLKZYWRK-UHFFFAOYSA-M
XLogP1.62
TPSA120.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.85
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3-diphenylisochromenylium perchlorate
CID 12710912
6-(4-chlorophenyl)-3-methyl-2,4-diphenylpyrylium perchlorate
CID 12706208
2-phenylazulene-1-carbaldehyde
CID 102378835
3-methyl-2,6-diphenylpyrylium perchlorate
CID 14568808
4-(4-methylphenyl)-2,3,6-triphenylpyrylium
CID 3459815
2-(4-methylphenyl)-4,6-diphenylpyrylium perchlorate
CID 12627136
octakis(2,4-diphenyl-6,7-dihydro-5H-chromen-1-ium-8-one);tetrakis(fluoro(dioxido)borane)
CID 173134246
4,6-diphenyl-2-(4-phenylphenyl)chromenylium
CID 90472342
xanthylium perchlorate
CID 12535320
2,4-diphenylbenzo[g]chromen-1-ium
CID 134912167
2,4-diphenyl-5,6-dihydrobenzo[h]chromen-1-ium;fluoride;dihydrofluoride
CID 12872716
2-(5-chlorofuran-2-yl)-4,6-diphenylpyrylium perchlorate
CID 134909283

Frequently Asked Questions

What is the IUPAC name of 2,4,6-triphenylpyrylium-3-carbaldehyde perchlorate?
The IUPAC name of 2,4,6-triphenylpyrylium-3-carbaldehyde perchlorate (CID 14343704) is 2,4,6-triphenylpyrylium-3-carbaldehyde perchlorate.
What is the SMILES notation for 2,4,6-triphenylpyrylium-3-carbaldehyde perchlorate?
The canonical SMILES for 2,4,6-triphenylpyrylium-3-carbaldehyde perchlorate is O=Cc1c(-c2ccccc2)cc(-c2ccccc2)[o+]c1-c1ccccc1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 2,4,6-triphenylpyrylium-3-carbaldehyde perchlorate?
The InChIKey is CPJADJRLKZYWRK-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H17O2.ClHO4/c25-17-22-21(18-10-4-1-5-11-18)16-23(19-12-6-2-7-13-19)26-24(22)20-14-8-3-9-15-20;2-1(3,4)5/h1-17H;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 2,4,6-triphenylpyrylium-3-carbaldehyde perchlorate?
2,4,6-triphenylpyrylium-3-carbaldehyde perchlorate has a molecular weight of 436.85 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triphenylpyrylium-3-carbaldehyde perchlorate is sourced from PubChem (CID 14343704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).