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

C31H23O2+ — CID 6033287

IUPAC4-[(E)-2-[4-(4,6-diphenylpyrylium-2-yl)phenyl]ethenyl]phenol
SMILESOc1ccc(/C=C/c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)[o+]3)cc2)cc1
InChIInChI=1S/C31H22O2/c32-29-19-15-24(16-20-29)12-11-23-13-17-27(18-14-23)31-22-28(25-7-3-1-4-8-25)21-30(33-31)26-9-5-2-6-10-26/h1-22H/p+1/b12-11+
InChIKeyGRCMPWDXDVUTIZ-VAWYXSNFSA-O
MW427.52 g/mol
LogP8.44
Rot. Bonds5

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

4-[(E)-2-[4-(4,6-diphenylpyrylium-2-yl)phenyl]ethenyl]phenol (PubChem CID 6033287) has the molecular formula C31H23O2+ and a molecular weight of 427.52 g/mol. Its IUPAC name is 4-[(E)-2-[4-(4,6-diphenylpyrylium-2-yl)phenyl]ethenyl]phenol.

Molecular Properties

Compound Name4-[(E)-2-[4-(4,6-diphenylpyrylium-2-yl)phenyl]ethenyl]phenol
PubChem CID6033287
Molecular FormulaC31H23O2+
Molecular Weight427.52 g/mol
Exact Mass427.17
IUPAC Name4-[(E)-2-[4-(4,6-diphenylpyrylium-2-yl)phenyl]ethenyl]phenol
SMILESOc1ccc(/C=C/c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)[o+]3)cc2)cc1
InChIInChI=1S/C31H22O2/c32-29-19-15-24(16-20-29)12-11-23-13-17-27(18-14-23)31-22-28(25-7-3-1-4-8-25)21-30(33-31)26-9-5-2-6-10-26/h1-22H/p+1/b12-11+
InChIKeyGRCMPWDXDVUTIZ-VAWYXSNFSA-O
XLogP8.44
TPSA31.53 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.52
LogP ≤ 58.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-(4,6-diphenylpyrylium-2-yl)phenyl]ethenyl]phenol?
The IUPAC name of 4-[(E)-2-[4-(4,6-diphenylpyrylium-2-yl)phenyl]ethenyl]phenol (CID 6033287) is 4-[(E)-2-[4-(4,6-diphenylpyrylium-2-yl)phenyl]ethenyl]phenol.
What is the SMILES notation for 4-[(E)-2-[4-(4,6-diphenylpyrylium-2-yl)phenyl]ethenyl]phenol?
The canonical SMILES for 4-[(E)-2-[4-(4,6-diphenylpyrylium-2-yl)phenyl]ethenyl]phenol is Oc1ccc(/C=C/c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)[o+]3)cc2)cc1.
What is the InChIKey of 4-[(E)-2-[4-(4,6-diphenylpyrylium-2-yl)phenyl]ethenyl]phenol?
The InChIKey is GRCMPWDXDVUTIZ-VAWYXSNFSA-O. The full InChI is InChI=1S/C31H22O2/c32-29-19-15-24(16-20-29)12-11-23-13-17-27(18-14-23)31-22-28(25-7-3-1-4-8-25)21-30(33-31)26-9-5-2-6-10-26/h1-22H/p+1/b12-11+.
What are the key properties of 4-[(E)-2-[4-(4,6-diphenylpyrylium-2-yl)phenyl]ethenyl]phenol?
4-[(E)-2-[4-(4,6-diphenylpyrylium-2-yl)phenyl]ethenyl]phenol has a molecular weight of 427.52 g/mol, XLogP of 8.44, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-(4,6-diphenylpyrylium-2-yl)phenyl]ethenyl]phenol is sourced from PubChem (CID 6033287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).