(dibenzylamino) phenyl phosphate

C20H19NO4P- — CID 23023265

IUPAC(dibenzylamino) phenyl phosphate
SMILESO=P([O-])(Oc1ccccc1)ON(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H20NO4P/c22-26(23,24-20-14-8-3-9-15-20)25-21(16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-15H,16-17H2,(H,22,23)/p-1
InChIKeyGVVSODLTIDBHNR-UHFFFAOYSA-M
MW368.35 g/mol
LogP4.17
Rot. Bonds8

About (dibenzylamino) phenyl phosphate

(dibenzylamino) phenyl phosphate (PubChem CID 23023265) has the molecular formula C20H19NO4P- and a molecular weight of 368.35 g/mol. Its IUPAC name is (dibenzylamino) phenyl phosphate.

Molecular Properties

Compound Name(dibenzylamino) phenyl phosphate
PubChem CID23023265
Molecular FormulaC20H19NO4P-
Molecular Weight368.35 g/mol
Exact Mass368.11
IUPAC Name(dibenzylamino) phenyl phosphate
SMILESO=P([O-])(Oc1ccccc1)ON(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H20NO4P/c22-26(23,24-20-14-8-3-9-15-20)25-21(16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-15H,16-17H2,(H,22,23)/p-1
InChIKeyGVVSODLTIDBHNR-UHFFFAOYSA-M
XLogP4.17
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

potassium diphenyl phosphate
CID 23671717
cesium diphenyl phosphate
CID 23664598
disodium;phenyl phosphate
CID 2724225
tetrasodium phenyl phosphate
CID 172856118
(4-chlorophenyl) phenyl phosphate
CID 71363636
[benzyl(phenoxy)phosphoryl]methylbenzene
CID 23079553
sodium phenoxy(phenyl)phosphinate
CID 161254659
aluminum tris(but-2-enyl phenyl phosphate)
CID 173440624
chloro(phenoxy)phosphinate
CID 71354399
zinc ethyl(phenoxy)phosphinate
CID 118975861
disodium;N,N-dimethyl-1-phenylmethanamine;hydrogen phosphate;hydrochloride
CID 174826908
phenyl sulfonato phosphate;bis(triethylazanium)
CID 139053661

Frequently Asked Questions

What is the IUPAC name of (dibenzylamino) phenyl phosphate?
The IUPAC name of (dibenzylamino) phenyl phosphate (CID 23023265) is (dibenzylamino) phenyl phosphate.
What is the SMILES notation for (dibenzylamino) phenyl phosphate?
The canonical SMILES for (dibenzylamino) phenyl phosphate is O=P([O-])(Oc1ccccc1)ON(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (dibenzylamino) phenyl phosphate?
The InChIKey is GVVSODLTIDBHNR-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H20NO4P/c22-26(23,24-20-14-8-3-9-15-20)25-21(16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-15H,16-17H2,(H,22,23)/p-1.
What are the key properties of (dibenzylamino) phenyl phosphate?
(dibenzylamino) phenyl phosphate has a molecular weight of 368.35 g/mol, XLogP of 4.17, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (dibenzylamino) phenyl phosphate is sourced from PubChem (CID 23023265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).