4-diphenylphosphoryl-2,6-diphenyl-4H-pyran

C29H23O2P — CID 2751489

IUPAC4-diphenylphosphoryl-2,6-diphenyl-4H-pyran
SMILESO=P(c1ccccc1)(c1ccccc1)C1C=C(c2ccccc2)OC(c2ccccc2)=C1
InChIInChI=1S/C29H23O2P/c30-32(25-17-9-3-10-18-25,26-19-11-4-12-20-26)27-21-28(23-13-5-1-6-14-23)31-29(22-27)24-15-7-2-8-16-24/h1-22,27H
InChIKeyLZPVGBOZNDKSFX-UHFFFAOYSA-N
MW434.48 g/mol
LogP6.48
Rot. Bonds5

About 4-diphenylphosphoryl-2,6-diphenyl-4H-pyran

4-diphenylphosphoryl-2,6-diphenyl-4H-pyran (PubChem CID 2751489) has the molecular formula C29H23O2P and a molecular weight of 434.48 g/mol. Its IUPAC name is 4-diphenylphosphoryl-2,6-diphenyl-4H-pyran.

Molecular Properties

Compound Name4-diphenylphosphoryl-2,6-diphenyl-4H-pyran
PubChem CID2751489
Molecular FormulaC29H23O2P
Molecular Weight434.48 g/mol
Exact Mass434.14
IUPAC Name4-diphenylphosphoryl-2,6-diphenyl-4H-pyran
SMILESO=P(c1ccccc1)(c1ccccc1)C1C=C(c2ccccc2)OC(c2ccccc2)=C1
InChIInChI=1S/C29H23O2P/c30-32(25-17-9-3-10-18-25,26-19-11-4-12-20-26)27-21-28(23-13-5-1-6-14-23)31-29(22-27)24-15-7-2-8-16-24/h1-22,27H
InChIKeyLZPVGBOZNDKSFX-UHFFFAOYSA-N
XLogP6.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.48
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-diphenylphosphoryl-2,6-diphenyl-4H-pyran?
The IUPAC name of 4-diphenylphosphoryl-2,6-diphenyl-4H-pyran (CID 2751489) is 4-diphenylphosphoryl-2,6-diphenyl-4H-pyran.
What is the SMILES notation for 4-diphenylphosphoryl-2,6-diphenyl-4H-pyran?
The canonical SMILES for 4-diphenylphosphoryl-2,6-diphenyl-4H-pyran is O=P(c1ccccc1)(c1ccccc1)C1C=C(c2ccccc2)OC(c2ccccc2)=C1.
What is the InChIKey of 4-diphenylphosphoryl-2,6-diphenyl-4H-pyran?
The InChIKey is LZPVGBOZNDKSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23O2P/c30-32(25-17-9-3-10-18-25,26-19-11-4-12-20-26)27-21-28(23-13-5-1-6-14-23)31-29(22-27)24-15-7-2-8-16-24/h1-22,27H.
What are the key properties of 4-diphenylphosphoryl-2,6-diphenyl-4H-pyran?
4-diphenylphosphoryl-2,6-diphenyl-4H-pyran has a molecular weight of 434.48 g/mol, XLogP of 6.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diphenylphosphoryl-2,6-diphenyl-4H-pyran is sourced from PubChem (CID 2751489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).