2-(4-methylphenyl)-4,6-diphenylpyrylium perchlorate

C24H19ClO5 — CID 12627136

IUPAC2-(4-methylphenyl)-4,6-diphenylpyrylium perchlorate
SMILESCc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)[o+]2)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C24H19O.ClHO4/c1-18-12-14-21(15-13-18)24-17-22(19-8-4-2-5-9-19)16-23(25-24)20-10-6-3-7-11-20;2-1(3,4)5/h2-17H,1H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyTZZUTSYKFWJAQP-UHFFFAOYSA-M
MW422.86 g/mol
LogP2.11
Rot. Bonds3

About 2-(4-methylphenyl)-4,6-diphenylpyrylium perchlorate

2-(4-methylphenyl)-4,6-diphenylpyrylium perchlorate (PubChem CID 12627136) has the molecular formula C24H19ClO5 and a molecular weight of 422.86 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4,6-diphenylpyrylium perchlorate.

Molecular Properties

Compound Name2-(4-methylphenyl)-4,6-diphenylpyrylium perchlorate
PubChem CID12627136
Molecular FormulaC24H19ClO5
Molecular Weight422.86 g/mol
Exact Mass422.09
IUPAC Name2-(4-methylphenyl)-4,6-diphenylpyrylium perchlorate
SMILESCc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)[o+]2)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C24H19O.ClHO4/c1-18-12-14-21(15-13-18)24-17-22(19-8-4-2-5-9-19)16-23(25-24)20-10-6-3-7-11-20;2-1(3,4)5/h2-17H,1H3;(H,2,3,4,5)/q+1;/p-1
InChIKeyTZZUTSYKFWJAQP-UHFFFAOYSA-M
XLogP2.11
TPSA103.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.86
LogP ≤ 52.11
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

2,4,6-tris(4-methylphenyl)pyrylium
CID 3723959
2,6-bis(4-methoxyphenyl)-4-phenylpyrylium perchlorate
CID 2884638
[4-(2,6-diphenylpyrylium-4-yl)phenyl] acetate perchlorate
CID 13402286
2-(4,6-diphenylpyrylium-2-yl)pyridine perchlorate
CID 44887999
1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene
CID 142935427
2,4-bis(4-fluorophenyl)-6-phenylpyrylium
CID 134911591
2,6-bis(4-ethylphenyl)-4-phenylpyrylium
CID 3309250
2-(5-chlorofuran-2-yl)-4,6-diphenylpyrylium perchlorate
CID 134909283
4-[2-(4-methylphenyl)-6-pyridin-4-ylpyrylium-4-yl]pyridine
CID 140885402
1-methyl-4-[2-(3-phenylphenyl)phenyl]benzene
CID 58390014
tetraphenylboranuide;2,4,6-triphenylpyrylium
CID 139713157
5-methyl-2-phenylpyrylium perchlorate
CID 134911030

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-4,6-diphenylpyrylium perchlorate?
The IUPAC name of 2-(4-methylphenyl)-4,6-diphenylpyrylium perchlorate (CID 12627136) is 2-(4-methylphenyl)-4,6-diphenylpyrylium perchlorate.
What is the SMILES notation for 2-(4-methylphenyl)-4,6-diphenylpyrylium perchlorate?
The canonical SMILES for 2-(4-methylphenyl)-4,6-diphenylpyrylium perchlorate is Cc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)[o+]2)cc1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of 2-(4-methylphenyl)-4,6-diphenylpyrylium perchlorate?
The InChIKey is TZZUTSYKFWJAQP-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H19O.ClHO4/c1-18-12-14-21(15-13-18)24-17-22(19-8-4-2-5-9-19)16-23(25-24)20-10-6-3-7-11-20;2-1(3,4)5/h2-17H,1H3;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of 2-(4-methylphenyl)-4,6-diphenylpyrylium perchlorate?
2-(4-methylphenyl)-4,6-diphenylpyrylium perchlorate has a molecular weight of 422.86 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4,6-diphenylpyrylium perchlorate is sourced from PubChem (CID 12627136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).