1-diphenylphosphorylnaphthalene

C22H17OP — CID 11023927

IUPAC1-diphenylphosphorylnaphthalene
SMILESO=P(c1ccccc1)(c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C22H17OP/c23-24(19-12-3-1-4-13-19,20-14-5-2-6-15-20)22-17-9-11-18-10-7-8-16-21(18)22/h1-17H
InChIKeyQPFFMCFXDHYNFR-UHFFFAOYSA-N
MW328.35 g/mol
LogP4.48
Rot. Bonds3

About 1-diphenylphosphorylnaphthalene

1-diphenylphosphorylnaphthalene (PubChem CID 11023927) has the molecular formula C22H17OP and a molecular weight of 328.35 g/mol. Its IUPAC name is 1-diphenylphosphorylnaphthalene.

Molecular Properties

Compound Name1-diphenylphosphorylnaphthalene
PubChem CID11023927
Molecular FormulaC22H17OP
Molecular Weight328.35 g/mol
Exact Mass328.10
IUPAC Name1-diphenylphosphorylnaphthalene
SMILESO=P(c1ccccc1)(c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C22H17OP/c23-24(19-12-3-1-4-13-19,20-14-5-2-6-15-20)22-17-9-11-18-10-7-8-16-21(18)22/h1-17H
InChIKeyQPFFMCFXDHYNFR-UHFFFAOYSA-N
XLogP4.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-diphenylphosphorylnaphthalene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-diphenylphosphorylnaphthalene?
The IUPAC name of 1-diphenylphosphorylnaphthalene (CID 11023927) is 1-diphenylphosphorylnaphthalene.
What is the SMILES notation for 1-diphenylphosphorylnaphthalene?
The canonical SMILES for 1-diphenylphosphorylnaphthalene is O=P(c1ccccc1)(c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of 1-diphenylphosphorylnaphthalene?
The InChIKey is QPFFMCFXDHYNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17OP/c23-24(19-12-3-1-4-13-19,20-14-5-2-6-15-20)22-17-9-11-18-10-7-8-16-21(18)22/h1-17H.
What are the key properties of 1-diphenylphosphorylnaphthalene?
1-diphenylphosphorylnaphthalene has a molecular weight of 328.35 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphorylnaphthalene is sourced from PubChem (CID 11023927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).