2,3,4,5-tetraphenyl-2H-pyran

C29H22O — CID 141213497

IUPAC2,3,4,5-tetraphenyl-2H-pyran
SMILESC1=C(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)O1
InChIInChI=1S/C29H22O/c1-5-13-22(14-6-1)26-21-30-29(25-19-11-4-12-20-25)28(24-17-9-3-10-18-24)27(26)23-15-7-2-8-16-23/h1-21,29H
InChIKeyDDOHTGYZZXAAOW-UHFFFAOYSA-N
MW386.49 g/mol
LogP7.41
Rot. Bonds4

About 2,3,4,5-tetraphenyl-2H-pyran

2,3,4,5-tetraphenyl-2H-pyran (PubChem CID 141213497) has the molecular formula C29H22O and a molecular weight of 386.49 g/mol. Its IUPAC name is 2,3,4,5-tetraphenyl-2H-pyran.

Molecular Properties

Compound Name2,3,4,5-tetraphenyl-2H-pyran
PubChem CID141213497
Molecular FormulaC29H22O
Molecular Weight386.49 g/mol
Exact Mass386.17
IUPAC Name2,3,4,5-tetraphenyl-2H-pyran
SMILESC1=C(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)O1
InChIInChI=1S/C29H22O/c1-5-13-22(14-6-1)26-21-30-29(25-19-11-4-12-20-25)28(24-17-9-3-10-18-24)27(26)23-15-7-2-8-16-23/h1-21,29H
InChIKeyDDOHTGYZZXAAOW-UHFFFAOYSA-N
XLogP7.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.49
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 173146259
(3S)-2,3,4,5,6-pentakis-phenyl-3H-azepine
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3,4,5-triphenyl-2H-oxazine
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2,3,4,5-tetraphenyl-2H-phosphole
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CID 122210293
3,4-diphenyl-4H-1,5,2-dioxazepine
CID 12996356
(2S)-2,3-diphenyl-4-propyl-2H-furan-5-one
CID 101165719
[3-(2,3-dimethylcycloprop-2-en-1-yl)-2,4,5-triphenylcyclopenta-1,4-dien-1-yl]benzene
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CID 101432935

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetraphenyl-2H-pyran?
The IUPAC name of 2,3,4,5-tetraphenyl-2H-pyran (CID 141213497) is 2,3,4,5-tetraphenyl-2H-pyran.
What is the SMILES notation for 2,3,4,5-tetraphenyl-2H-pyran?
The canonical SMILES for 2,3,4,5-tetraphenyl-2H-pyran is C1=C(c2ccccc2)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)O1.
What is the InChIKey of 2,3,4,5-tetraphenyl-2H-pyran?
The InChIKey is DDOHTGYZZXAAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22O/c1-5-13-22(14-6-1)26-21-30-29(25-19-11-4-12-20-25)28(24-17-9-3-10-18-24)27(26)23-15-7-2-8-16-23/h1-21,29H.
What are the key properties of 2,3,4,5-tetraphenyl-2H-pyran?
2,3,4,5-tetraphenyl-2H-pyran has a molecular weight of 386.49 g/mol, XLogP of 7.41, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetraphenyl-2H-pyran is sourced from PubChem (CID 141213497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).