2-diphenylphosphorylsulfanylnaphthalene

C22H17OPS — CID 132937680

IUPAC2-diphenylphosphorylsulfanylnaphthalene
SMILESO=P(Sc1ccc2ccccc2c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17OPS/c23-24(20-11-3-1-4-12-20,21-13-5-2-6-14-21)25-22-16-15-18-9-7-8-10-19(18)17-22/h1-17H
InChIKeyLMJGFWVFXNGHPB-UHFFFAOYSA-N
MW360.42 g/mol
LogP5.86
Rot. Bonds4

About 2-diphenylphosphorylsulfanylnaphthalene

2-diphenylphosphorylsulfanylnaphthalene (PubChem CID 132937680) has the molecular formula C22H17OPS and a molecular weight of 360.42 g/mol. Its IUPAC name is 2-diphenylphosphorylsulfanylnaphthalene.

Molecular Properties

Compound Name2-diphenylphosphorylsulfanylnaphthalene
PubChem CID132937680
Molecular FormulaC22H17OPS
Molecular Weight360.42 g/mol
Exact Mass360.07
IUPAC Name2-diphenylphosphorylsulfanylnaphthalene
SMILESO=P(Sc1ccc2ccccc2c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H17OPS/c23-24(20-11-3-1-4-12-20,21-13-5-2-6-14-21)25-22-16-15-18-9-7-8-10-19(18)17-22/h1-17H
InChIKeyLMJGFWVFXNGHPB-UHFFFAOYSA-N
XLogP5.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.42
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

naphthalen-2-yl(phenyl)phosphinic acid
CID 102162733
2-[[4-bis(4-dinaphthalen-2-ylphosphorylphenyl)phosphorylphenyl]-naphthalen-2-ylphosphoryl]naphthalene
CID 58982890
2-naphthalen-2-ylsulfanyl-2-oxoacetic acid
CID 174985689
anthracene;benzene;naphthalene
CID 142706236
2-[[4-(4-dinaphthalen-2-ylphosphorylphenyl)phenyl]-naphthalen-2-ylphosphoryl]naphthalene
CID 58982866
2-[naphthalen-2-yl(phenylselanyl)phosphoryl]naphthalene
CID 155930984
2-(1-fluoroethylsulfanyl)naphthalene
CID 139914119
2-[methoxymethyl(phenyl)phosphoryl]naphthalene
CID 100982565
2-naphthalen-2-ylsulfanyl-6-phenylpyrimidin-4-amine
CID 139991849
2-[tert-butyl(naphthalen-2-yl)phosphoryl]naphthalene
CID 122593125
methyl-naphthalen-2-yl-phenyl-sulfanylidene-λ5-phosphane
CID 23421632
2,3,6,7,10,11-hexakis(naphthalen-2-ylsulfanyl)triphenylene
CID 20661250

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphorylsulfanylnaphthalene?
The IUPAC name of 2-diphenylphosphorylsulfanylnaphthalene (CID 132937680) is 2-diphenylphosphorylsulfanylnaphthalene.
What is the SMILES notation for 2-diphenylphosphorylsulfanylnaphthalene?
The canonical SMILES for 2-diphenylphosphorylsulfanylnaphthalene is O=P(Sc1ccc2ccccc2c1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphorylsulfanylnaphthalene?
The InChIKey is LMJGFWVFXNGHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17OPS/c23-24(20-11-3-1-4-12-20,21-13-5-2-6-14-21)25-22-16-15-18-9-7-8-10-19(18)17-22/h1-17H.
What are the key properties of 2-diphenylphosphorylsulfanylnaphthalene?
2-diphenylphosphorylsulfanylnaphthalene has a molecular weight of 360.42 g/mol, XLogP of 5.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphorylsulfanylnaphthalene is sourced from PubChem (CID 132937680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).