4-diphenoxyphosphanylbutyl(diphenoxy)phosphane

C28H28O4P2 — CID 139899843

IUPAC4-diphenoxyphosphanylbutyl(diphenoxy)phosphane
SMILESc1ccc(OP(CCCCP(Oc2ccccc2)Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C28H28O4P2/c1-5-15-25(16-6-1)29-33(30-26-17-7-2-8-18-26)23-13-14-24-34(31-27-19-9-3-10-20-27)32-28-21-11-4-12-22-28/h1-12,15-22H,13-14,23-24H2
InChIKeyDESUXWOEYIQCRZ-UHFFFAOYSA-N
MW490.48 g/mol
LogP8.71
Rot. Bonds13

About 4-diphenoxyphosphanylbutyl(diphenoxy)phosphane

4-diphenoxyphosphanylbutyl(diphenoxy)phosphane (PubChem CID 139899843) has the molecular formula C28H28O4P2 and a molecular weight of 490.48 g/mol. Its IUPAC name is 4-diphenoxyphosphanylbutyl(diphenoxy)phosphane.

Molecular Properties

Compound Name4-diphenoxyphosphanylbutyl(diphenoxy)phosphane
PubChem CID139899843
Molecular FormulaC28H28O4P2
Molecular Weight490.48 g/mol
Exact Mass490.15
IUPAC Name4-diphenoxyphosphanylbutyl(diphenoxy)phosphane
SMILESc1ccc(OP(CCCCP(Oc2ccccc2)Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C28H28O4P2/c1-5-15-25(16-6-1)29-33(30-26-17-7-2-8-18-26)23-13-14-24-34(31-27-19-9-3-10-20-27)32-28-21-11-4-12-22-28/h1-12,15-22H,13-14,23-24H2
InChIKeyDESUXWOEYIQCRZ-UHFFFAOYSA-N
XLogP8.71
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.48
LogP ≤ 58.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-diphenoxyphosphanylbutyl(diphenoxy)phosphane 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

8-diphenoxyphosphanyloctyl(diphenoxy)phosphane
CID 139718936
tri(113C)cyclohexatrienyl phosphite
CID 101432390
triphenyl phosphite
CID 7540
bis(phenyl dihydrogen phosphite);sulfane
CID 174625507
dibutyl(phenoxy)phosphane
CID 12525167
butyl-chloro-phenoxyphosphane
CID 88778201
diphenoxyphosphanyloxymethyl diphenyl phosphite
CID 171611986
ethane;methyl diphenyl phosphite
CID 161074644
butyl-phenoxy-phenylphosphane
CID 90719182
3-[3-[3-[3-[3-[3-[3-[3-[3-[4-[2-[3-[3-(3-diphenoxyphosphanyloxypropoxy)propoxy]propoxy]ethoxy]butoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl diphenyl phosphite
CID 102006079
diethoxy phenyl phosphite
CID 150732863
dimethyl(4-phenoxybutyl)phosphane
CID 168765216

Frequently Asked Questions

What is the IUPAC name of 4-diphenoxyphosphanylbutyl(diphenoxy)phosphane?
The IUPAC name of 4-diphenoxyphosphanylbutyl(diphenoxy)phosphane (CID 139899843) is 4-diphenoxyphosphanylbutyl(diphenoxy)phosphane.
What is the SMILES notation for 4-diphenoxyphosphanylbutyl(diphenoxy)phosphane?
The canonical SMILES for 4-diphenoxyphosphanylbutyl(diphenoxy)phosphane is c1ccc(OP(CCCCP(Oc2ccccc2)Oc2ccccc2)Oc2ccccc2)cc1.
What is the InChIKey of 4-diphenoxyphosphanylbutyl(diphenoxy)phosphane?
The InChIKey is DESUXWOEYIQCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28O4P2/c1-5-15-25(16-6-1)29-33(30-26-17-7-2-8-18-26)23-13-14-24-34(31-27-19-9-3-10-20-27)32-28-21-11-4-12-22-28/h1-12,15-22H,13-14,23-24H2.
What are the key properties of 4-diphenoxyphosphanylbutyl(diphenoxy)phosphane?
4-diphenoxyphosphanylbutyl(diphenoxy)phosphane has a molecular weight of 490.48 g/mol, XLogP of 8.71, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diphenoxyphosphanylbutyl(diphenoxy)phosphane is sourced from PubChem (CID 139899843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).