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

C31H23O2+ — CID 3488310

IUPAC2-[2-[4-(4,6-diphenylpyrylium-2-yl)phenyl]ethenyl]phenol
SMILESOc1ccccc1C=Cc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)[o+]2)cc1
InChIInChI=1S/C31H22O2/c32-29-14-8-7-11-25(29)18-15-23-16-19-27(20-17-23)31-22-28(24-9-3-1-4-10-24)21-30(33-31)26-12-5-2-6-13-26/h1-22H/p+1
InChIKeyOKJYKDQIGPYCKE-UHFFFAOYSA-O
MW427.52 g/mol
LogP8.44
Rot. Bonds5

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

2-[2-[4-(4,6-diphenylpyrylium-2-yl)phenyl]ethenyl]phenol (PubChem CID 3488310) has the molecular formula C31H23O2+ and a molecular weight of 427.52 g/mol. Its IUPAC name is 2-[2-[4-(4,6-diphenylpyrylium-2-yl)phenyl]ethenyl]phenol.

Molecular Properties

Compound Name2-[2-[4-(4,6-diphenylpyrylium-2-yl)phenyl]ethenyl]phenol
PubChem CID3488310
Molecular FormulaC31H23O2+
Molecular Weight427.52 g/mol
Exact Mass427.17
IUPAC Name2-[2-[4-(4,6-diphenylpyrylium-2-yl)phenyl]ethenyl]phenol
SMILESOc1ccccc1C=Cc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)[o+]2)cc1
InChIInChI=1S/C31H22O2/c32-29-14-8-7-11-25(29)18-15-23-16-19-27(20-17-23)31-22-28(24-9-3-1-4-10-24)21-30(33-31)26-12-5-2-6-13-26/h1-22H/p+1
InChIKeyOKJYKDQIGPYCKE-UHFFFAOYSA-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'}

Analyze 2-[2-[4-(4,6-diphenylpyrylium-2-yl)phenyl]ethenyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(E)-2-[4-(4,6-diphenylpyrylium-2-yl)phenyl]ethenyl]phenol
CID 6033287
2-[2-(4,6-diphenylpyrylium-2-yl)ethenyl]phenol
CID 4109867
4-[2-(4-phenylphenyl)ethenyl]phenol
CID 73178657
2,4-bis(4-fluorophenyl)-6-phenylpyrylium
CID 134911591
4-[2-(2-hydroxyphenyl)ethenyl]benzene-1,2-diol
CID 54133293
2-(2-phenylethenyl)phenol;phosphoric acid
CID 67814298
2-[(E)-2-(4-phenylphenyl)ethenyl]benzoic acid
CID 46868614
tetraphenylboranuide;2,4,6-triphenylpyrylium
CID 139713157
4-[(E)-2-(2-methoxyphenyl)ethenyl]-2,6-diphenylpyrylium tetrafluoroborate
CID 52987343
2-[(E)-2-(3,4-difluorophenyl)ethenyl]phenol
CID 11287698
2-(4-methylphenyl)-4,6-diphenylpyrylium perchlorate
CID 12627136
2,6-bis(4-ethylphenyl)-4-phenylpyrylium
CID 3309250

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4,6-diphenylpyrylium-2-yl)phenyl]ethenyl]phenol?
The IUPAC name of 2-[2-[4-(4,6-diphenylpyrylium-2-yl)phenyl]ethenyl]phenol (CID 3488310) is 2-[2-[4-(4,6-diphenylpyrylium-2-yl)phenyl]ethenyl]phenol.
What is the SMILES notation for 2-[2-[4-(4,6-diphenylpyrylium-2-yl)phenyl]ethenyl]phenol?
The canonical SMILES for 2-[2-[4-(4,6-diphenylpyrylium-2-yl)phenyl]ethenyl]phenol is Oc1ccccc1C=Cc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)[o+]2)cc1.
What is the InChIKey of 2-[2-[4-(4,6-diphenylpyrylium-2-yl)phenyl]ethenyl]phenol?
The InChIKey is OKJYKDQIGPYCKE-UHFFFAOYSA-O. The full InChI is InChI=1S/C31H22O2/c32-29-14-8-7-11-25(29)18-15-23-16-19-27(20-17-23)31-22-28(24-9-3-1-4-10-24)21-30(33-31)26-12-5-2-6-13-26/h1-22H/p+1.
What are the key properties of 2-[2-[4-(4,6-diphenylpyrylium-2-yl)phenyl]ethenyl]phenol?
2-[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 2-[2-[4-(4,6-diphenylpyrylium-2-yl)phenyl]ethenyl]phenol is sourced from PubChem (CID 3488310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).