(tetraphenyl-λ5-phosphanyl) phenylmethanesulfonate

C31H27O3PS — CID 139767697

IUPAC(tetraphenyl-λ5-phosphanyl) phenylmethanesulfonate
SMILESO=S(=O)(Cc1ccccc1)OP(c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H27O3PS/c32-36(33,26-27-16-6-1-7-17-27)34-35(28-18-8-2-9-19-28,29-20-10-3-11-21-29,30-22-12-4-13-23-30)31-24-14-5-15-25-31/h1-25H,26H2
InChIKeySGJNJIUINNNNNG-UHFFFAOYSA-N
MW510.60 g/mol
LogP5.30
Rot. Bonds8

About (tetraphenyl-λ5-phosphanyl) phenylmethanesulfonate

(tetraphenyl-λ5-phosphanyl) phenylmethanesulfonate (PubChem CID 139767697) has the molecular formula C31H27O3PS and a molecular weight of 510.60 g/mol. Its IUPAC name is (tetraphenyl-λ5-phosphanyl) phenylmethanesulfonate.

Molecular Properties

Compound Name(tetraphenyl-λ5-phosphanyl) phenylmethanesulfonate
PubChem CID139767697
Molecular FormulaC31H27O3PS
Molecular Weight510.60 g/mol
Exact Mass510.14
IUPAC Name(tetraphenyl-λ5-phosphanyl) phenylmethanesulfonate
SMILESO=S(=O)(Cc1ccccc1)OP(c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H27O3PS/c32-36(33,26-27-16-6-1-7-17-27)34-35(28-18-8-2-9-19-28,29-20-10-3-11-21-29,30-22-12-4-13-23-30)31-24-14-5-15-25-31/h1-25H,26H2
InChIKeySGJNJIUINNNNNG-UHFFFAOYSA-N
XLogP5.30
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.60
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (tetraphenyl-λ5-phosphanyl) phenylmethanesulfonate with MolForge

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

Launch Full Analysis

Related Compounds

(tetraethyl-λ5-phosphanyl) phenylmethanesulfonate
CID 141195623
sodium benzyl phenylmethanesulfonate
CID 22169271
[methyl-tris(2-methylpropyl)-λ5-phosphanyl] phenylmethanesulfonate
CID 141245724
methyl phenylmethanesulfonate;hydrochloride
CID 174842265
benzylsulfonyl acetate
CID 18539477
(18F)fluoromethyl phenylmethanesulfonate
CID 172775641
ethenyl phenylmethanesulfonate
CID 54312072
1,3-dihydroisoindol-2-yl phenylmethanesulfonate
CID 141069223
benzylsulfonyloxymethylphosphonic acid
CID 87100261
[2,3-bis(benzylsulfonyloxy)phenyl] phenylmethanesulfonate
CID 18625063
[benzyl-(tetraphenyl-λ5-phosphanyl)oxyboranyl]oxy-tetraphenyl-λ5-phosphane
CID 140982083
(2,5-dioxopyrrolidin-3-yl) phenylmethanesulfonate
CID 172689647

Frequently Asked Questions

What is the IUPAC name of (tetraphenyl-λ5-phosphanyl) phenylmethanesulfonate?
The IUPAC name of (tetraphenyl-λ5-phosphanyl) phenylmethanesulfonate (CID 139767697) is (tetraphenyl-λ5-phosphanyl) phenylmethanesulfonate.
What is the SMILES notation for (tetraphenyl-λ5-phosphanyl) phenylmethanesulfonate?
The canonical SMILES for (tetraphenyl-λ5-phosphanyl) phenylmethanesulfonate is O=S(=O)(Cc1ccccc1)OP(c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (tetraphenyl-λ5-phosphanyl) phenylmethanesulfonate?
The InChIKey is SGJNJIUINNNNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27O3PS/c32-36(33,26-27-16-6-1-7-17-27)34-35(28-18-8-2-9-19-28,29-20-10-3-11-21-29,30-22-12-4-13-23-30)31-24-14-5-15-25-31/h1-25H,26H2.
What are the key properties of (tetraphenyl-λ5-phosphanyl) phenylmethanesulfonate?
(tetraphenyl-λ5-phosphanyl) phenylmethanesulfonate has a molecular weight of 510.60 g/mol, XLogP of 5.30, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (tetraphenyl-λ5-phosphanyl) phenylmethanesulfonate is sourced from PubChem (CID 139767697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).