(2,3,4-triphenylphenyl)methylphosphanyl methanesulfonate

C26H23O3PS — CID 142697050

IUPAC(2,3,4-triphenylphenyl)methylphosphanyl methanesulfonate
SMILESCS(=O)(=O)OPCc1ccc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C26H23O3PS/c1-31(27,28)29-30-19-23-17-18-24(20-11-5-2-6-12-20)26(22-15-9-4-10-16-22)25(23)21-13-7-3-8-14-21/h2-18,30H,19H2,1H3
InChIKeyQIRDVHRCWSKUAZ-UHFFFAOYSA-N
MW446.51 g/mol
LogP6.76
Rot. Bonds7

About (2,3,4-triphenylphenyl)methylphosphanyl methanesulfonate

(2,3,4-triphenylphenyl)methylphosphanyl methanesulfonate (PubChem CID 142697050) has the molecular formula C26H23O3PS and a molecular weight of 446.51 g/mol. Its IUPAC name is (2,3,4-triphenylphenyl)methylphosphanyl methanesulfonate.

Molecular Properties

Compound Name(2,3,4-triphenylphenyl)methylphosphanyl methanesulfonate
PubChem CID142697050
Molecular FormulaC26H23O3PS
Molecular Weight446.51 g/mol
Exact Mass446.11
IUPAC Name(2,3,4-triphenylphenyl)methylphosphanyl methanesulfonate
SMILESCS(=O)(=O)OPCc1ccc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C26H23O3PS/c1-31(27,28)29-30-19-23-17-18-24(20-11-5-2-6-12-20)26(22-15-9-4-10-16-22)25(23)21-13-7-3-8-14-21/h2-18,30H,19H2,1H3
InChIKeyQIRDVHRCWSKUAZ-UHFFFAOYSA-N
XLogP6.76
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.51
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,3,4-triphenylphenyl)methylphosphanyl methanesulfonate?
The IUPAC name of (2,3,4-triphenylphenyl)methylphosphanyl methanesulfonate (CID 142697050) is (2,3,4-triphenylphenyl)methylphosphanyl methanesulfonate.
What is the SMILES notation for (2,3,4-triphenylphenyl)methylphosphanyl methanesulfonate?
The canonical SMILES for (2,3,4-triphenylphenyl)methylphosphanyl methanesulfonate is CS(=O)(=O)OPCc1ccc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of (2,3,4-triphenylphenyl)methylphosphanyl methanesulfonate?
The InChIKey is QIRDVHRCWSKUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23O3PS/c1-31(27,28)29-30-19-23-17-18-24(20-11-5-2-6-12-20)26(22-15-9-4-10-16-22)25(23)21-13-7-3-8-14-21/h2-18,30H,19H2,1H3.
What are the key properties of (2,3,4-triphenylphenyl)methylphosphanyl methanesulfonate?
(2,3,4-triphenylphenyl)methylphosphanyl methanesulfonate has a molecular weight of 446.51 g/mol, XLogP of 6.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4-triphenylphenyl)methylphosphanyl methanesulfonate is sourced from PubChem (CID 142697050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).