2,4,6-tris(4-methylphenyl)pyrylium

C26H23O+ — CID 3723959

IUPAC2,4,6-tris(4-methylphenyl)pyrylium
SMILESCc1ccc(-c2cc(-c3ccc(C)cc3)[o+]c(-c3ccc(C)cc3)c2)cc1
InChIInChI=1S/C26H23O/c1-18-4-10-21(11-5-18)24-16-25(22-12-6-19(2)7-13-22)27-26(17-24)23-14-8-20(3)9-15-23/h4-17H,1-3H3/q+1
InChIKeyYKQLCVZJKKBGIW-UHFFFAOYSA-N
MW351.47 g/mol
LogP7.49
Rot. Bonds3

About 2,4,6-tris(4-methylphenyl)pyrylium

2,4,6-tris(4-methylphenyl)pyrylium (PubChem CID 3723959) has the molecular formula C26H23O+ and a molecular weight of 351.47 g/mol. Its IUPAC name is 2,4,6-tris(4-methylphenyl)pyrylium.

Molecular Properties

Compound Name2,4,6-tris(4-methylphenyl)pyrylium
PubChem CID3723959
Molecular FormulaC26H23O+
Molecular Weight351.47 g/mol
Exact Mass351.17
IUPAC Name2,4,6-tris(4-methylphenyl)pyrylium
SMILESCc1ccc(-c2cc(-c3ccc(C)cc3)[o+]c(-c3ccc(C)cc3)c2)cc1
InChIInChI=1S/C26H23O/c1-18-4-10-21(11-5-18)24-16-25(22-12-6-19(2)7-13-22)27-26(17-24)23-14-8-20(3)9-15-23/h4-17H,1-3H3/q+1
InChIKeyYKQLCVZJKKBGIW-UHFFFAOYSA-N
XLogP7.49
TPSA11.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.47
LogP ≤ 57.49
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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Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris(4-methylphenyl)pyrylium?
The IUPAC name of 2,4,6-tris(4-methylphenyl)pyrylium (CID 3723959) is 2,4,6-tris(4-methylphenyl)pyrylium.
What is the SMILES notation for 2,4,6-tris(4-methylphenyl)pyrylium?
The canonical SMILES for 2,4,6-tris(4-methylphenyl)pyrylium is Cc1ccc(-c2cc(-c3ccc(C)cc3)[o+]c(-c3ccc(C)cc3)c2)cc1.
What is the InChIKey of 2,4,6-tris(4-methylphenyl)pyrylium?
The InChIKey is YKQLCVZJKKBGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23O/c1-18-4-10-21(11-5-18)24-16-25(22-12-6-19(2)7-13-22)27-26(17-24)23-14-8-20(3)9-15-23/h4-17H,1-3H3/q+1.
What are the key properties of 2,4,6-tris(4-methylphenyl)pyrylium?
2,4,6-tris(4-methylphenyl)pyrylium has a molecular weight of 351.47 g/mol, XLogP of 7.49, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris(4-methylphenyl)pyrylium is sourced from PubChem (CID 3723959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).