3-diphenylphosphoryl-1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-methylquinolin-2-one

C39H52NO10P — CID 170287177

IUPAC3-diphenylphosphoryl-1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-methylquinolin-2-one
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCn1c(=O)c(P(=O)(c2ccccc2)c2ccccc2)cc2cc(C)ccc21
InChIInChI=1S/C39H52NO10P/c1-33-13-14-37-34(31-33)32-38(51(42,35-9-5-3-6-10-35)36-11-7-4-8-12-36)39(41)40(37)15-16-44-19-20-46-23-24-48-27-28-50-30-29-49-26-25-47-22-21-45-18-17-43-2/h3-14,31-32H,15-30H2,1-2H3
InChIKeyRZOGUVKSAIJXDP-UHFFFAOYSA-N
MW725.82 g/mol
LogP3.71
Rot. Bonds27

About 3-diphenylphosphoryl-1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-methylquinolin-2-one

3-diphenylphosphoryl-1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-methylquinolin-2-one (PubChem CID 170287177) has the molecular formula C39H52NO10P and a molecular weight of 725.82 g/mol. Its IUPAC name is 3-diphenylphosphoryl-1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-methylquinolin-2-one.

Molecular Properties

Compound Name3-diphenylphosphoryl-1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-methylquinolin-2-one
PubChem CID170287177
Molecular FormulaC39H52NO10P
Molecular Weight725.82 g/mol
Exact Mass725.33
IUPAC Name3-diphenylphosphoryl-1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-methylquinolin-2-one
SMILESCOCCOCCOCCOCCOCCOCCOCCOCCn1c(=O)c(P(=O)(c2ccccc2)c2ccccc2)cc2cc(C)ccc21
InChIInChI=1S/C39H52NO10P/c1-33-13-14-37-34(31-33)32-38(51(42,35-9-5-3-6-10-35)36-11-7-4-8-12-36)39(41)40(37)15-16-44-19-20-46-23-24-48-27-28-50-30-29-49-26-25-47-22-21-45-18-17-43-2/h3-14,31-32H,15-30H2,1-2H3
InChIKeyRZOGUVKSAIJXDP-UHFFFAOYSA-N
XLogP3.71
TPSA112.91 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds27
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.82
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-diphenylphosphoryl-1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-methylquinolin-2-one?
The IUPAC name of 3-diphenylphosphoryl-1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-methylquinolin-2-one (CID 170287177) is 3-diphenylphosphoryl-1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-methylquinolin-2-one.
What is the SMILES notation for 3-diphenylphosphoryl-1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-methylquinolin-2-one?
The canonical SMILES for 3-diphenylphosphoryl-1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-methylquinolin-2-one is COCCOCCOCCOCCOCCOCCOCCOCCn1c(=O)c(P(=O)(c2ccccc2)c2ccccc2)cc2cc(C)ccc21.
What is the InChIKey of 3-diphenylphosphoryl-1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-methylquinolin-2-one?
The InChIKey is RZOGUVKSAIJXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H52NO10P/c1-33-13-14-37-34(31-33)32-38(51(42,35-9-5-3-6-10-35)36-11-7-4-8-12-36)39(41)40(37)15-16-44-19-20-46-23-24-48-27-28-50-30-29-49-26-25-47-22-21-45-18-17-43-2/h3-14,31-32H,15-30H2,1-2H3.
What are the key properties of 3-diphenylphosphoryl-1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-methylquinolin-2-one?
3-diphenylphosphoryl-1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-methylquinolin-2-one has a molecular weight of 725.82 g/mol, XLogP of 3.71, 27 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diphenylphosphoryl-1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-methylquinolin-2-one is sourced from PubChem (CID 170287177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).