2-[2-(4,6-diphenylpyrylium-2-yl)ethenyl]phenol

C25H19O2+ — CID 4109867

IUPAC2-[2-(4,6-diphenylpyrylium-2-yl)ethenyl]phenol
SMILESOc1ccccc1C=Cc1cc(-c2ccccc2)cc(-c2ccccc2)[o+]1
InChIInChI=1S/C25H18O2/c26-24-14-8-7-11-20(24)15-16-23-17-22(19-9-3-1-4-10-19)18-25(27-23)21-12-5-2-6-13-21/h1-18H/p+1
InChIKeyLTOYPQISYWCJSB-UHFFFAOYSA-O
MW351.43 g/mol
LogP6.77
Rot. Bonds4

About 2-[2-(4,6-diphenylpyrylium-2-yl)ethenyl]phenol

2-[2-(4,6-diphenylpyrylium-2-yl)ethenyl]phenol (PubChem CID 4109867) has the molecular formula C25H19O2+ and a molecular weight of 351.43 g/mol. Its IUPAC name is 2-[2-(4,6-diphenylpyrylium-2-yl)ethenyl]phenol.

Molecular Properties

Compound Name2-[2-(4,6-diphenylpyrylium-2-yl)ethenyl]phenol
PubChem CID4109867
Molecular FormulaC25H19O2+
Molecular Weight351.43 g/mol
Exact Mass351.14
IUPAC Name2-[2-(4,6-diphenylpyrylium-2-yl)ethenyl]phenol
SMILESOc1ccccc1C=Cc1cc(-c2ccccc2)cc(-c2ccccc2)[o+]1
InChIInChI=1S/C25H18O2/c26-24-14-8-7-11-20(24)15-16-23-17-22(19-9-3-1-4-10-19)18-25(27-23)21-12-5-2-6-13-21/h1-18H/p+1
InChIKeyLTOYPQISYWCJSB-UHFFFAOYSA-O
XLogP6.77
TPSA31.53 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.43
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-(4,6-diphenylpyrylium-2-yl)phenyl]ethenyl]phenol
CID 3488310
4-[(E)-2-[4-(4,6-diphenylpyrylium-2-yl)phenyl]ethenyl]phenol
CID 6033287
tetraphenylboranuide;2,4,6-triphenylpyrylium
CID 139713157
4,6-diphenylpyrylium-2-carboxylic acid
CID 3314101
2,4-bis(4-fluorophenyl)-6-phenylpyrylium
CID 134911591
2-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]phenol
CID 140572424
1-phenyl-2-[(E)-2-(2-phenylphenyl)ethenyl]benzene
CID 13307769
2-(4-methylphenyl)-4,6-diphenylpyrylium perchlorate
CID 12627136
2,6-bis(4-ethylphenyl)-4-phenylpyrylium
CID 3309250
4-[2-(2-hydroxyphenyl)ethenyl]benzene-1,2-diol
CID 54133293
2-tert-butyl-4-(4-fluorophenyl)-6-phenylpyrylium
CID 134909177
methyl 4,6-diphenylpyrylium-2-carboxylate
CID 3838669

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,6-diphenylpyrylium-2-yl)ethenyl]phenol?
The IUPAC name of 2-[2-(4,6-diphenylpyrylium-2-yl)ethenyl]phenol (CID 4109867) is 2-[2-(4,6-diphenylpyrylium-2-yl)ethenyl]phenol.
What is the SMILES notation for 2-[2-(4,6-diphenylpyrylium-2-yl)ethenyl]phenol?
The canonical SMILES for 2-[2-(4,6-diphenylpyrylium-2-yl)ethenyl]phenol is Oc1ccccc1C=Cc1cc(-c2ccccc2)cc(-c2ccccc2)[o+]1.
What is the InChIKey of 2-[2-(4,6-diphenylpyrylium-2-yl)ethenyl]phenol?
The InChIKey is LTOYPQISYWCJSB-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H18O2/c26-24-14-8-7-11-20(24)15-16-23-17-22(19-9-3-1-4-10-19)18-25(27-23)21-12-5-2-6-13-21/h1-18H/p+1.
What are the key properties of 2-[2-(4,6-diphenylpyrylium-2-yl)ethenyl]phenol?
2-[2-(4,6-diphenylpyrylium-2-yl)ethenyl]phenol has a molecular weight of 351.43 g/mol, XLogP of 6.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,6-diphenylpyrylium-2-yl)ethenyl]phenol is sourced from PubChem (CID 4109867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).