[(4-methylphenyl)sulfinyl-phenylmethylidene]-triphenyl-λ5-phosphane

C32H27OPS — CID 10791240

IUPAC[(4-methylphenyl)sulfinyl-phenylmethylidene]-triphenyl-λ5-phosphane
SMILESCc1ccc(S(=O)C(c2ccccc2)=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H27OPS/c1-26-22-24-31(25-23-26)35(33)32(27-14-6-2-7-15-27)34(28-16-8-3-9-17-28,29-18-10-4-11-19-29)30-20-12-5-13-21-30/h2-25H,1H3
InChIKeyWCWNELGHPXKJAM-UHFFFAOYSA-N
MW490.61 g/mol
LogP6.27
Rot. Bonds6

About [(4-methylphenyl)sulfinyl-phenylmethylidene]-triphenyl-λ5-phosphane

[(4-methylphenyl)sulfinyl-phenylmethylidene]-triphenyl-λ5-phosphane (PubChem CID 10791240) has the molecular formula C32H27OPS and a molecular weight of 490.61 g/mol. Its IUPAC name is [(4-methylphenyl)sulfinyl-phenylmethylidene]-triphenyl-λ5-phosphane.

Molecular Properties

Compound Name[(4-methylphenyl)sulfinyl-phenylmethylidene]-triphenyl-λ5-phosphane
PubChem CID10791240
Molecular FormulaC32H27OPS
Molecular Weight490.61 g/mol
Exact Mass490.15
IUPAC Name[(4-methylphenyl)sulfinyl-phenylmethylidene]-triphenyl-λ5-phosphane
SMILESCc1ccc(S(=O)C(c2ccccc2)=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H27OPS/c1-26-22-24-31(25-23-26)35(33)32(27-14-6-2-7-15-27)34(28-16-8-3-9-17-28,29-18-10-4-11-19-29)30-20-12-5-13-21-30/h2-25H,1H3
InChIKeyWCWNELGHPXKJAM-UHFFFAOYSA-N
XLogP6.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.61
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4-methylphenyl)sulfinyl-phenylmethylidene]-triphenyl-λ5-phosphane?
The IUPAC name of [(4-methylphenyl)sulfinyl-phenylmethylidene]-triphenyl-λ5-phosphane (CID 10791240) is [(4-methylphenyl)sulfinyl-phenylmethylidene]-triphenyl-λ5-phosphane.
What is the SMILES notation for [(4-methylphenyl)sulfinyl-phenylmethylidene]-triphenyl-λ5-phosphane?
The canonical SMILES for [(4-methylphenyl)sulfinyl-phenylmethylidene]-triphenyl-λ5-phosphane is Cc1ccc(S(=O)C(c2ccccc2)=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [(4-methylphenyl)sulfinyl-phenylmethylidene]-triphenyl-λ5-phosphane?
The InChIKey is WCWNELGHPXKJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27OPS/c1-26-22-24-31(25-23-26)35(33)32(27-14-6-2-7-15-27)34(28-16-8-3-9-17-28,29-18-10-4-11-19-29)30-20-12-5-13-21-30/h2-25H,1H3.
What are the key properties of [(4-methylphenyl)sulfinyl-phenylmethylidene]-triphenyl-λ5-phosphane?
[(4-methylphenyl)sulfinyl-phenylmethylidene]-triphenyl-λ5-phosphane has a molecular weight of 490.61 g/mol, XLogP of 6.27, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-methylphenyl)sulfinyl-phenylmethylidene]-triphenyl-λ5-phosphane is sourced from PubChem (CID 10791240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).