1-diphenylphosphoryl-8-methylsulfanylnaphthalene

C23H19OPS — CID 58555963

IUPAC1-diphenylphosphoryl-8-methylsulfanylnaphthalene
SMILESCSc1cccc2cccc(P(=O)(c3ccccc3)c3ccccc3)c12
InChIInChI=1S/C23H19OPS/c1-26-22-17-9-11-18-10-8-16-21(23(18)22)25(24,19-12-4-2-5-13-19)20-14-6-3-7-15-20/h2-17H,1H3
InChIKeyDTRUOBYCGGQJJG-UHFFFAOYSA-N
MW374.45 g/mol
LogP5.20
Rot. Bonds4

About 1-diphenylphosphoryl-8-methylsulfanylnaphthalene

1-diphenylphosphoryl-8-methylsulfanylnaphthalene (PubChem CID 58555963) has the molecular formula C23H19OPS and a molecular weight of 374.45 g/mol. Its IUPAC name is 1-diphenylphosphoryl-8-methylsulfanylnaphthalene.

Molecular Properties

Compound Name1-diphenylphosphoryl-8-methylsulfanylnaphthalene
PubChem CID58555963
Molecular FormulaC23H19OPS
Molecular Weight374.45 g/mol
Exact Mass374.09
IUPAC Name1-diphenylphosphoryl-8-methylsulfanylnaphthalene
SMILESCSc1cccc2cccc(P(=O)(c3ccccc3)c3ccccc3)c12
InChIInChI=1S/C23H19OPS/c1-26-22-17-9-11-18-10-8-16-21(23(18)22)25(24,19-12-4-2-5-13-19)20-14-6-3-7-15-20/h2-17H,1H3
InChIKeyDTRUOBYCGGQJJG-UHFFFAOYSA-N
XLogP5.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.45
LogP ≤ 55.20
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 1-diphenylphosphoryl-8-methylsulfanylnaphthalene?
The IUPAC name of 1-diphenylphosphoryl-8-methylsulfanylnaphthalene (CID 58555963) is 1-diphenylphosphoryl-8-methylsulfanylnaphthalene.
What is the SMILES notation for 1-diphenylphosphoryl-8-methylsulfanylnaphthalene?
The canonical SMILES for 1-diphenylphosphoryl-8-methylsulfanylnaphthalene is CSc1cccc2cccc(P(=O)(c3ccccc3)c3ccccc3)c12.
What is the InChIKey of 1-diphenylphosphoryl-8-methylsulfanylnaphthalene?
The InChIKey is DTRUOBYCGGQJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19OPS/c1-26-22-17-9-11-18-10-8-16-21(23(18)22)25(24,19-12-4-2-5-13-19)20-14-6-3-7-15-20/h2-17H,1H3.
What are the key properties of 1-diphenylphosphoryl-8-methylsulfanylnaphthalene?
1-diphenylphosphoryl-8-methylsulfanylnaphthalene has a molecular weight of 374.45 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diphenylphosphoryl-8-methylsulfanylnaphthalene is sourced from PubChem (CID 58555963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).