[2-[2-[2-[2-[2-(2-diphenylphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-phenylphosphoryl]benzene

C36H44O7P2 — CID 15644733

IUPAC[2-[2-[2-[2-[2-(2-diphenylphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-phenylphosphoryl]benzene
SMILESO=P(CCOCCOCCOCCOCCOCCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H44O7P2/c37-44(33-13-5-1-6-14-33,34-15-7-2-8-16-34)31-29-42-27-25-40-23-21-39-22-24-41-26-28-43-30-32-45(38,35-17-9-3-10-18-35)36-19-11-4-12-20-36/h1-20H,21-32H2
InChIKeyJQKCCKFOISOSHB-UHFFFAOYSA-N
MW650.69 g/mol
LogP5.10
Rot. Bonds22

About [2-[2-[2-[2-[2-(2-diphenylphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-phenylphosphoryl]benzene

[2-[2-[2-[2-[2-(2-diphenylphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-phenylphosphoryl]benzene (PubChem CID 15644733) has the molecular formula C36H44O7P2 and a molecular weight of 650.69 g/mol. Its IUPAC name is [2-[2-[2-[2-[2-(2-diphenylphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-phenylphosphoryl]benzene.

Molecular Properties

Compound Name[2-[2-[2-[2-[2-(2-diphenylphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-phenylphosphoryl]benzene
PubChem CID15644733
Molecular FormulaC36H44O7P2
Molecular Weight650.69 g/mol
Exact Mass650.26
IUPAC Name[2-[2-[2-[2-[2-(2-diphenylphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-phenylphosphoryl]benzene
SMILESO=P(CCOCCOCCOCCOCCOCCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H44O7P2/c37-44(33-13-5-1-6-14-33,34-15-7-2-8-16-34)31-29-42-27-25-40-23-21-39-22-24-41-26-28-43-30-32-45(38,35-17-9-3-10-18-35)36-19-11-4-12-20-36/h1-20H,21-32H2
InChIKeyJQKCCKFOISOSHB-UHFFFAOYSA-N
XLogP5.10
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.69
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [2-[2-[2-[2-[2-(2-diphenylphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-phenylphosphoryl]benzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[2-[2-[2-[2-(2-diphenylphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-phenylphosphoryl]benzene?
The IUPAC name of [2-[2-[2-[2-[2-(2-diphenylphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-phenylphosphoryl]benzene (CID 15644733) is [2-[2-[2-[2-[2-(2-diphenylphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-phenylphosphoryl]benzene.
What is the SMILES notation for [2-[2-[2-[2-[2-(2-diphenylphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-phenylphosphoryl]benzene?
The canonical SMILES for [2-[2-[2-[2-[2-(2-diphenylphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-phenylphosphoryl]benzene is O=P(CCOCCOCCOCCOCCOCCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[2-[2-[2-[2-(2-diphenylphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-phenylphosphoryl]benzene?
The InChIKey is JQKCCKFOISOSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H44O7P2/c37-44(33-13-5-1-6-14-33,34-15-7-2-8-16-34)31-29-42-27-25-40-23-21-39-22-24-41-26-28-43-30-32-45(38,35-17-9-3-10-18-35)36-19-11-4-12-20-36/h1-20H,21-32H2.
What are the key properties of [2-[2-[2-[2-[2-(2-diphenylphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-phenylphosphoryl]benzene?
[2-[2-[2-[2-[2-(2-diphenylphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-phenylphosphoryl]benzene has a molecular weight of 650.69 g/mol, XLogP of 5.10, 22 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[2-[2-[2-(2-diphenylphosphorylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl-phenylphosphoryl]benzene is sourced from PubChem (CID 15644733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).