2,6-bis(4-ethylphenyl)-4-phenylpyrylium

C27H25O+ — CID 3309250

IUPAC2,6-bis(4-ethylphenyl)-4-phenylpyrylium
SMILESCCc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(CC)cc3)[o+]2)cc1
InChIInChI=1S/C27H25O/c1-3-20-10-14-23(15-11-20)26-18-25(22-8-6-5-7-9-22)19-27(28-26)24-16-12-21(4-2)13-17-24/h5-19H,3-4H2,1-2H3/q+1
InChIKeyJMBROSCRTZEPMW-UHFFFAOYSA-N
MW365.50 g/mol
LogP7.69
Rot. Bonds5

About 2,6-bis(4-ethylphenyl)-4-phenylpyrylium

2,6-bis(4-ethylphenyl)-4-phenylpyrylium (PubChem CID 3309250) has the molecular formula C27H25O+ and a molecular weight of 365.50 g/mol. Its IUPAC name is 2,6-bis(4-ethylphenyl)-4-phenylpyrylium.

Molecular Properties

Compound Name2,6-bis(4-ethylphenyl)-4-phenylpyrylium
PubChem CID3309250
Molecular FormulaC27H25O+
Molecular Weight365.50 g/mol
Exact Mass365.19
IUPAC Name2,6-bis(4-ethylphenyl)-4-phenylpyrylium
SMILESCCc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(CC)cc3)[o+]2)cc1
InChIInChI=1S/C27H25O/c1-3-20-10-14-23(15-11-20)26-18-25(22-8-6-5-7-9-22)19-27(28-26)24-16-12-21(4-2)13-17-24/h5-19H,3-4H2,1-2H3/q+1
InChIKeyJMBROSCRTZEPMW-UHFFFAOYSA-N
XLogP7.69
TPSA11.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.50
LogP ≤ 57.69
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 2,6-bis(4-ethylphenyl)-4-phenylpyrylium?
The IUPAC name of 2,6-bis(4-ethylphenyl)-4-phenylpyrylium (CID 3309250) is 2,6-bis(4-ethylphenyl)-4-phenylpyrylium.
What is the SMILES notation for 2,6-bis(4-ethylphenyl)-4-phenylpyrylium?
The canonical SMILES for 2,6-bis(4-ethylphenyl)-4-phenylpyrylium is CCc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(CC)cc3)[o+]2)cc1.
What is the InChIKey of 2,6-bis(4-ethylphenyl)-4-phenylpyrylium?
The InChIKey is JMBROSCRTZEPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25O/c1-3-20-10-14-23(15-11-20)26-18-25(22-8-6-5-7-9-22)19-27(28-26)24-16-12-21(4-2)13-17-24/h5-19H,3-4H2,1-2H3/q+1.
What are the key properties of 2,6-bis(4-ethylphenyl)-4-phenylpyrylium?
2,6-bis(4-ethylphenyl)-4-phenylpyrylium has a molecular weight of 365.50 g/mol, XLogP of 7.69, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-ethylphenyl)-4-phenylpyrylium is sourced from PubChem (CID 3309250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).