2,4,6-triphenylpyrylium chloride

C23H17ClO — CID 2734003

IUPAC2,4,6-triphenylpyrylium chloride
SMILES[Cl-].c1ccc(-c2cc(-c3ccccc3)[o+]c(-c3ccccc3)c2)cc1
InChIInChI=1S/C23H17O.ClH/c1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)24-23(17-21)20-14-8-3-9-15-20;/h1-17H;1H/q+1;/p-1
InChIKeyHBOJAJCANMJVFP-UHFFFAOYSA-M
MW344.84 g/mol
LogP3.57
Rot. Bonds3

About 2,4,6-triphenylpyrylium chloride

2,4,6-triphenylpyrylium chloride (PubChem CID 2734003) has the molecular formula C23H17ClO and a molecular weight of 344.84 g/mol. Its IUPAC name is 2,4,6-triphenylpyrylium chloride.

Molecular Properties

Compound Name2,4,6-triphenylpyrylium chloride
PubChem CID2734003
Molecular FormulaC23H17ClO
Molecular Weight344.84 g/mol
Exact Mass344.10
IUPAC Name2,4,6-triphenylpyrylium chloride
SMILES[Cl-].c1ccc(-c2cc(-c3ccccc3)[o+]c(-c3ccccc3)c2)cc1
InChIInChI=1S/C23H17O.ClH/c1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)24-23(17-21)20-14-8-3-9-15-20;/h1-17H;1H/q+1;/p-1
InChIKeyHBOJAJCANMJVFP-UHFFFAOYSA-M
XLogP3.57
TPSA11.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Dibenzofuran
CID 568
Anthocyanins
CID 145858
2,5-Diphenylfuran
CID 70387
1,4-Phenylene bis((4-phenoxyphenyl)-methanone)
CID 2058710
4H-1-Benzopyran-4-one, 2-(1-naphthalenyl)-
CID 623335
Benzofurans
CID 253613
Methanone, bis(4-(2-(1-propen-1-yl)phenoxy)phenyl)-
CID 3458330
Benzoic acid biphenyl-4-yl ester
CID 231743
2-Phenyl-benzofuran
CID 3517936
2,5-Diphenyl-3-benzoylfuran
CID 44339577
1,3-Diphenylisobenzofuran
CID 21649
Tetraphenylfuran
CID 223858

Frequently Asked Questions

What is the IUPAC name of 2,4,6-triphenylpyrylium chloride?
The IUPAC name of 2,4,6-triphenylpyrylium chloride (CID 2734003) is 2,4,6-triphenylpyrylium chloride.
What is the SMILES notation for 2,4,6-triphenylpyrylium chloride?
The canonical SMILES for 2,4,6-triphenylpyrylium chloride is [Cl-].c1ccc(-c2cc(-c3ccccc3)[o+]c(-c3ccccc3)c2)cc1.
What is the InChIKey of 2,4,6-triphenylpyrylium chloride?
The InChIKey is HBOJAJCANMJVFP-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H17O.ClH/c1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)24-23(17-21)20-14-8-3-9-15-20;/h1-17H;1H/q+1;/p-1.
What are the key properties of 2,4,6-triphenylpyrylium chloride?
2,4,6-triphenylpyrylium chloride has a molecular weight of 344.84 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triphenylpyrylium chloride is sourced from PubChem (CID 2734003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).