(2,3-dibenzylphenyl)-oxo-phenylphosphanium

C26H22OP+ — CID 172767441

IUPAC(2,3-dibenzylphenyl)-oxo-phenylphosphanium
SMILESO=[P+](c1ccccc1)c1cccc(Cc2ccccc2)c1Cc1ccccc1
InChIInChI=1S/C26H22OP/c27-28(24-16-8-3-9-17-24)26-18-10-15-23(19-21-11-4-1-5-12-21)25(26)20-22-13-6-2-7-14-22/h1-18H,19-20H2/q+1
InChIKeyLVMOAEGMRMNTEN-UHFFFAOYSA-N
MW381.44 g/mol
LogP5.65
Rot. Bonds6

About (2,3-dibenzylphenyl)-oxo-phenylphosphanium

(2,3-dibenzylphenyl)-oxo-phenylphosphanium (PubChem CID 172767441) has the molecular formula C26H22OP+ and a molecular weight of 381.44 g/mol. Its IUPAC name is (2,3-dibenzylphenyl)-oxo-phenylphosphanium.

Molecular Properties

Compound Name(2,3-dibenzylphenyl)-oxo-phenylphosphanium
PubChem CID172767441
Molecular FormulaC26H22OP+
Molecular Weight381.44 g/mol
Exact Mass381.14
IUPAC Name(2,3-dibenzylphenyl)-oxo-phenylphosphanium
SMILESO=[P+](c1ccccc1)c1cccc(Cc2ccccc2)c1Cc1ccccc1
InChIInChI=1S/C26H22OP/c27-28(24-16-8-3-9-17-24)26-18-10-15-23(19-21-11-4-1-5-12-21)25(26)20-22-13-6-2-7-14-22/h1-18H,19-20H2/q+1
InChIKeyLVMOAEGMRMNTEN-UHFFFAOYSA-N
XLogP5.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.44
LogP ≤ 55.65
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 (2,3-dibenzylphenyl)-oxo-phenylphosphanium?
The IUPAC name of (2,3-dibenzylphenyl)-oxo-phenylphosphanium (CID 172767441) is (2,3-dibenzylphenyl)-oxo-phenylphosphanium.
What is the SMILES notation for (2,3-dibenzylphenyl)-oxo-phenylphosphanium?
The canonical SMILES for (2,3-dibenzylphenyl)-oxo-phenylphosphanium is O=[P+](c1ccccc1)c1cccc(Cc2ccccc2)c1Cc1ccccc1.
What is the InChIKey of (2,3-dibenzylphenyl)-oxo-phenylphosphanium?
The InChIKey is LVMOAEGMRMNTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22OP/c27-28(24-16-8-3-9-17-24)26-18-10-15-23(19-21-11-4-1-5-12-21)25(26)20-22-13-6-2-7-14-22/h1-18H,19-20H2/q+1.
What are the key properties of (2,3-dibenzylphenyl)-oxo-phenylphosphanium?
(2,3-dibenzylphenyl)-oxo-phenylphosphanium has a molecular weight of 381.44 g/mol, XLogP of 5.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dibenzylphenyl)-oxo-phenylphosphanium is sourced from PubChem (CID 172767441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).