dibenzhydryloxy(oxo)phosphanium

C26H22O3P+ — CID 57050024

IUPACdibenzhydryloxy(oxo)phosphanium
SMILESO=[P+](OC(c1ccccc1)c1ccccc1)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H22O3P/c27-30(28-25(21-13-5-1-6-14-21)22-15-7-2-8-16-22)29-26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25-26H/q+1
InChIKeyKBFVDNPLRKUSNW-UHFFFAOYSA-N
MW413.43 g/mol
LogP7.26
Rot. Bonds8

About dibenzhydryloxy(oxo)phosphanium

dibenzhydryloxy(oxo)phosphanium (PubChem CID 57050024) has the molecular formula C26H22O3P+ and a molecular weight of 413.43 g/mol. Its IUPAC name is dibenzhydryloxy(oxo)phosphanium.

Molecular Properties

Compound Namedibenzhydryloxy(oxo)phosphanium
PubChem CID57050024
Molecular FormulaC26H22O3P+
Molecular Weight413.43 g/mol
Exact Mass413.13
IUPAC Namedibenzhydryloxy(oxo)phosphanium
SMILESO=[P+](OC(c1ccccc1)c1ccccc1)OC(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H22O3P/c27-30(28-25(21-13-5-1-6-14-21)22-15-7-2-8-16-22)29-26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25-26H/q+1
InChIKeyKBFVDNPLRKUSNW-UHFFFAOYSA-N
XLogP7.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.43
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze dibenzhydryloxy(oxo)phosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzhydryloxy-hydroxy-oxophosphanium
CID 66793238
benzhydryloxy-oxido-oxophosphanium
CID 19805881
bis(1,2-diphenylethoxy)-oxophosphanium
CID 57192035
CID 173161446
CID 173161446
[phenyl(sulfanyloxy)methyl]benzene
CID 87556595
[phenyl(selanyloxy)methyl]benzene
CID 173319425
benzhydryloxyphosphane
CID 22639277
bis(3-hydroxyimino-1-phenylpropoxy)-oxophosphanium
CID 175557844
cobalt;oxo(diphenoxy)phosphanium
CID 162036820
copper;oxo(diphenoxy)phosphanium
CID 158842365
benzhydryl-chloro-oxophosphanium
CID 174729977
hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium
CID 90333087

Frequently Asked Questions

What is the IUPAC name of dibenzhydryloxy(oxo)phosphanium?
The IUPAC name of dibenzhydryloxy(oxo)phosphanium (CID 57050024) is dibenzhydryloxy(oxo)phosphanium.
What is the SMILES notation for dibenzhydryloxy(oxo)phosphanium?
The canonical SMILES for dibenzhydryloxy(oxo)phosphanium is O=[P+](OC(c1ccccc1)c1ccccc1)OC(c1ccccc1)c1ccccc1.
What is the InChIKey of dibenzhydryloxy(oxo)phosphanium?
The InChIKey is KBFVDNPLRKUSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O3P/c27-30(28-25(21-13-5-1-6-14-21)22-15-7-2-8-16-22)29-26(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25-26H/q+1.
What are the key properties of dibenzhydryloxy(oxo)phosphanium?
dibenzhydryloxy(oxo)phosphanium has a molecular weight of 413.43 g/mol, XLogP of 7.26, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibenzhydryloxy(oxo)phosphanium is sourced from PubChem (CID 57050024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).