2-diphenylphosphorylethyl-hydroxy-diphenylphosphanium

C26H25O2P2+ — CID 139127496

IUPAC2-diphenylphosphorylethyl-hydroxy-diphenylphosphanium
SMILESO=P(CC[P+](O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H25O2P2/c27-29(23-13-5-1-6-14-23,24-15-7-2-8-16-24)21-22-30(28,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27H,21-22H2/q+1
InChIKeyLFNRQEBBFPLVCU-UHFFFAOYSA-N
MW431.43 g/mol
LogP4.58
Rot. Bonds7

About 2-diphenylphosphorylethyl-hydroxy-diphenylphosphanium

2-diphenylphosphorylethyl-hydroxy-diphenylphosphanium (PubChem CID 139127496) has the molecular formula C26H25O2P2+ and a molecular weight of 431.43 g/mol. Its IUPAC name is 2-diphenylphosphorylethyl-hydroxy-diphenylphosphanium.

Molecular Properties

Compound Name2-diphenylphosphorylethyl-hydroxy-diphenylphosphanium
PubChem CID139127496
Molecular FormulaC26H25O2P2+
Molecular Weight431.43 g/mol
Exact Mass431.13
IUPAC Name2-diphenylphosphorylethyl-hydroxy-diphenylphosphanium
SMILESO=P(CC[P+](O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H25O2P2/c27-29(23-13-5-1-6-14-23,24-15-7-2-8-16-24)21-22-30(28,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27H,21-22H2/q+1
InChIKeyLFNRQEBBFPLVCU-UHFFFAOYSA-N
XLogP4.58
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.43
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-diphenylphosphorylethyl-hydroxy-diphenylphosphanium?
The IUPAC name of 2-diphenylphosphorylethyl-hydroxy-diphenylphosphanium (CID 139127496) is 2-diphenylphosphorylethyl-hydroxy-diphenylphosphanium.
What is the SMILES notation for 2-diphenylphosphorylethyl-hydroxy-diphenylphosphanium?
The canonical SMILES for 2-diphenylphosphorylethyl-hydroxy-diphenylphosphanium is O=P(CC[P+](O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphorylethyl-hydroxy-diphenylphosphanium?
The InChIKey is LFNRQEBBFPLVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25O2P2/c27-29(23-13-5-1-6-14-23,24-15-7-2-8-16-24)21-22-30(28,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27H,21-22H2/q+1.
What are the key properties of 2-diphenylphosphorylethyl-hydroxy-diphenylphosphanium?
2-diphenylphosphorylethyl-hydroxy-diphenylphosphanium has a molecular weight of 431.43 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphorylethyl-hydroxy-diphenylphosphanium is sourced from PubChem (CID 139127496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).