[benzylsulfonyl(phenyl)methylidene]-triphenyl-λ5-phosphane

C32H27O2PS — CID 71365946

IUPAC[benzylsulfonyl(phenyl)methylidene]-triphenyl-λ5-phosphane
SMILESO=S(=O)(Cc1ccccc1)C(c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H27O2PS/c33-36(34,26-27-16-6-1-7-17-27)32(28-18-8-2-9-19-28)35(29-20-10-3-11-21-29,30-22-12-4-13-23-30)31-24-14-5-15-25-31/h1-25H,26H2
InChIKeyPROJSFYFYUKYLZ-UHFFFAOYSA-N
MW506.61 g/mol
LogP5.77
Rot. Bonds7

About [benzylsulfonyl(phenyl)methylidene]-triphenyl-λ5-phosphane

[benzylsulfonyl(phenyl)methylidene]-triphenyl-λ5-phosphane (PubChem CID 71365946) has the molecular formula C32H27O2PS and a molecular weight of 506.61 g/mol. Its IUPAC name is [benzylsulfonyl(phenyl)methylidene]-triphenyl-λ5-phosphane.

Molecular Properties

Compound Name[benzylsulfonyl(phenyl)methylidene]-triphenyl-λ5-phosphane
PubChem CID71365946
Molecular FormulaC32H27O2PS
Molecular Weight506.61 g/mol
Exact Mass506.15
IUPAC Name[benzylsulfonyl(phenyl)methylidene]-triphenyl-λ5-phosphane
SMILESO=S(=O)(Cc1ccccc1)C(c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H27O2PS/c33-36(34,26-27-16-6-1-7-17-27)32(28-18-8-2-9-19-28)35(29-20-10-3-11-21-29,30-22-12-4-13-23-30)31-24-14-5-15-25-31/h1-25H,26H2
InChIKeyPROJSFYFYUKYLZ-UHFFFAOYSA-N
XLogP5.77
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.61
LogP ≤ 55.77
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

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CID 270316
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CID 325646
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CID 1712358
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CID 601502
CID 601502
CID 21324840
CID 21324840
CID 22996619
CID 22996619
CID 54050844
CID 54050844
CID 70285414
CID 70285414
CID 129822679
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CID 134995132
CID 134995132
CID 53634156
CID 53634156

Frequently Asked Questions

What is the IUPAC name of [benzylsulfonyl(phenyl)methylidene]-triphenyl-λ5-phosphane?
The IUPAC name of [benzylsulfonyl(phenyl)methylidene]-triphenyl-λ5-phosphane (CID 71365946) is [benzylsulfonyl(phenyl)methylidene]-triphenyl-λ5-phosphane.
What is the SMILES notation for [benzylsulfonyl(phenyl)methylidene]-triphenyl-λ5-phosphane?
The canonical SMILES for [benzylsulfonyl(phenyl)methylidene]-triphenyl-λ5-phosphane is O=S(=O)(Cc1ccccc1)C(c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [benzylsulfonyl(phenyl)methylidene]-triphenyl-λ5-phosphane?
The InChIKey is PROJSFYFYUKYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27O2PS/c33-36(34,26-27-16-6-1-7-17-27)32(28-18-8-2-9-19-28)35(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 [benzylsulfonyl(phenyl)methylidene]-triphenyl-λ5-phosphane?
[benzylsulfonyl(phenyl)methylidene]-triphenyl-λ5-phosphane has a molecular weight of 506.61 g/mol, XLogP of 5.77, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [benzylsulfonyl(phenyl)methylidene]-triphenyl-λ5-phosphane is sourced from PubChem (CID 71365946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).