(3,3-diphenyl-3-phosphanylpropyl)-diphenylphosphane;methanesulfonic acid

C28H30O3P2S — CID 173418622

IUPAC(3,3-diphenyl-3-phosphanylpropyl)-diphenylphosphane;methanesulfonic acid
SMILESCS(=O)(=O)O.PC(CCP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26P2.CH4O3S/c28-27(23-13-5-1-6-14-23,24-15-7-2-8-16-24)21-22-29(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-5(2,3)4/h1-20H,21-22,28H2;1H3,(H,2,3,4)
InChIKeyLVICLXFYPKSVBM-UHFFFAOYSA-N
MW508.56 g/mol
LogP5.83
Rot. Bonds7

About (3,3-diphenyl-3-phosphanylpropyl)-diphenylphosphane;methanesulfonic acid

(3,3-diphenyl-3-phosphanylpropyl)-diphenylphosphane;methanesulfonic acid (PubChem CID 173418622) has the molecular formula C28H30O3P2S and a molecular weight of 508.56 g/mol. Its IUPAC name is (3,3-diphenyl-3-phosphanylpropyl)-diphenylphosphane;methanesulfonic acid.

Molecular Properties

Compound Name(3,3-diphenyl-3-phosphanylpropyl)-diphenylphosphane;methanesulfonic acid
PubChem CID173418622
Molecular FormulaC28H30O3P2S
Molecular Weight508.56 g/mol
Exact Mass508.14
IUPAC Name(3,3-diphenyl-3-phosphanylpropyl)-diphenylphosphane;methanesulfonic acid
SMILESCS(=O)(=O)O.PC(CCP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H26P2.CH4O3S/c28-27(23-13-5-1-6-14-23,24-15-7-2-8-16-24)21-22-29(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-5(2,3)4/h1-20H,21-22,28H2;1H3,(H,2,3,4)
InChIKeyLVICLXFYPKSVBM-UHFFFAOYSA-N
XLogP5.83
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.56
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3,3-diphenyl-3-phosphanylpropyl)-diphenylphosphane;methanesulfonic acid?
The IUPAC name of (3,3-diphenyl-3-phosphanylpropyl)-diphenylphosphane;methanesulfonic acid (CID 173418622) is (3,3-diphenyl-3-phosphanylpropyl)-diphenylphosphane;methanesulfonic acid.
What is the SMILES notation for (3,3-diphenyl-3-phosphanylpropyl)-diphenylphosphane;methanesulfonic acid?
The canonical SMILES for (3,3-diphenyl-3-phosphanylpropyl)-diphenylphosphane;methanesulfonic acid is CS(=O)(=O)O.PC(CCP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3,3-diphenyl-3-phosphanylpropyl)-diphenylphosphane;methanesulfonic acid?
The InChIKey is LVICLXFYPKSVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26P2.CH4O3S/c28-27(23-13-5-1-6-14-23,24-15-7-2-8-16-24)21-22-29(25-17-9-3-10-18-25)26-19-11-4-12-20-26;1-5(2,3)4/h1-20H,21-22,28H2;1H3,(H,2,3,4).
What are the key properties of (3,3-diphenyl-3-phosphanylpropyl)-diphenylphosphane;methanesulfonic acid?
(3,3-diphenyl-3-phosphanylpropyl)-diphenylphosphane;methanesulfonic acid has a molecular weight of 508.56 g/mol, XLogP of 5.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-diphenyl-3-phosphanylpropyl)-diphenylphosphane;methanesulfonic acid is sourced from PubChem (CID 173418622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).