2-diphenylphosphorylnaphthalene-1,4-dione

C22H15O3P — CID 14614271

IUPAC2-diphenylphosphorylnaphthalene-1,4-dione
SMILESO=C1C=C(P(=O)(c2ccccc2)c2ccccc2)C(=O)c2ccccc21
InChIInChI=1S/C22H15O3P/c23-20-15-21(22(24)19-14-8-7-13-18(19)20)26(25,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-15H
InChIKeyFEYSBSJNCSKHJC-UHFFFAOYSA-N
MW358.33 g/mol
LogP3.96
Rot. Bonds3

About 2-diphenylphosphorylnaphthalene-1,4-dione

2-diphenylphosphorylnaphthalene-1,4-dione (PubChem CID 14614271) has the molecular formula C22H15O3P and a molecular weight of 358.33 g/mol. Its IUPAC name is 2-diphenylphosphorylnaphthalene-1,4-dione.

Molecular Properties

Compound Name2-diphenylphosphorylnaphthalene-1,4-dione
PubChem CID14614271
Molecular FormulaC22H15O3P
Molecular Weight358.33 g/mol
Exact Mass358.08
IUPAC Name2-diphenylphosphorylnaphthalene-1,4-dione
SMILESO=C1C=C(P(=O)(c2ccccc2)c2ccccc2)C(=O)c2ccccc21
InChIInChI=1S/C22H15O3P/c23-20-15-21(22(24)19-14-8-7-13-18(19)20)26(25,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-15H
InChIKeyFEYSBSJNCSKHJC-UHFFFAOYSA-N
XLogP3.96
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.33
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphorylnaphthalene-1,4-dione?
The IUPAC name of 2-diphenylphosphorylnaphthalene-1,4-dione (CID 14614271) is 2-diphenylphosphorylnaphthalene-1,4-dione.
What is the SMILES notation for 2-diphenylphosphorylnaphthalene-1,4-dione?
The canonical SMILES for 2-diphenylphosphorylnaphthalene-1,4-dione is O=C1C=C(P(=O)(c2ccccc2)c2ccccc2)C(=O)c2ccccc21.
What is the InChIKey of 2-diphenylphosphorylnaphthalene-1,4-dione?
The InChIKey is FEYSBSJNCSKHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15O3P/c23-20-15-21(22(24)19-14-8-7-13-18(19)20)26(25,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-15H.
What are the key properties of 2-diphenylphosphorylnaphthalene-1,4-dione?
2-diphenylphosphorylnaphthalene-1,4-dione has a molecular weight of 358.33 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphorylnaphthalene-1,4-dione is sourced from PubChem (CID 14614271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).