2-(2-diphenylphosphorylphenoxy)-N,N-bis[2-(2-diphenylphosphorylphenoxy)ethyl]ethanamine

C60H54NO6P3 — CID 10748478

IUPAC2-(2-diphenylphosphorylphenoxy)-N,N-bis[2-(2-diphenylphosphorylphenoxy)ethyl]ethanamine
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccccc1OCCN(CCOc1ccccc1P(=O)(c1ccccc1)c1ccccc1)CCOc1ccccc1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C60H54NO6P3/c62-68(49-25-7-1-8-26-49,50-27-9-2-10-28-50)58-40-22-19-37-55(58)65-46-43-61(44-47-66-56-38-20-23-41-59(56)69(63,51-29-11-3-12-30-51)52-31-13-4-14-32-52)45-48-67-57-39-21-24-42-60(57)70(64,53-33-15-5-16-34-53)54-35-17-6-18-36-54/h1-42H,43-48H2
InChIKeyBMXAKPFZPFLENA-UHFFFAOYSA-N
MW978.02 g/mol
LogP9.44
Rot. Bonds21

About 2-(2-diphenylphosphorylphenoxy)-N,N-bis[2-(2-diphenylphosphorylphenoxy)ethyl]ethanamine

2-(2-diphenylphosphorylphenoxy)-N,N-bis[2-(2-diphenylphosphorylphenoxy)ethyl]ethanamine (PubChem CID 10748478) has the molecular formula C60H54NO6P3 and a molecular weight of 978.02 g/mol. Its IUPAC name is 2-(2-diphenylphosphorylphenoxy)-N,N-bis[2-(2-diphenylphosphorylphenoxy)ethyl]ethanamine.

Molecular Properties

Compound Name2-(2-diphenylphosphorylphenoxy)-N,N-bis[2-(2-diphenylphosphorylphenoxy)ethyl]ethanamine
PubChem CID10748478
Molecular FormulaC60H54NO6P3
Molecular Weight978.02 g/mol
Exact Mass977.32
IUPAC Name2-(2-diphenylphosphorylphenoxy)-N,N-bis[2-(2-diphenylphosphorylphenoxy)ethyl]ethanamine
SMILESO=P(c1ccccc1)(c1ccccc1)c1ccccc1OCCN(CCOc1ccccc1P(=O)(c1ccccc1)c1ccccc1)CCOc1ccccc1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C60H54NO6P3/c62-68(49-25-7-1-8-26-49,50-27-9-2-10-28-50)58-40-22-19-37-55(58)65-46-43-61(44-47-66-56-38-20-23-41-59(56)69(63,51-29-11-3-12-30-51)52-31-13-4-14-32-52)45-48-67-57-39-21-24-42-60(57)70(64,53-33-15-5-16-34-53)54-35-17-6-18-36-54/h1-42H,43-48H2
InChIKeyBMXAKPFZPFLENA-UHFFFAOYSA-N
XLogP9.44
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500978.02
LogP ≤ 59.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-diphenylphosphoryl-2-(2-diphenylphosphorylphenoxy)benzene;ethane
CID 144799075
[2-[2-[2-[2-[2-[hydroxy(phenyl)phosphoryl]phenoxy]ethoxy]ethoxy]ethoxy]phenyl]-phenylphosphinic acid
CID 3354156
1-diphenylphosphoryl-2-[(4-nitrophenyl)methoxy]benzene
CID 19587731
2-(4-bromo-2-diphenylphosphorylphenoxy)ethanol
CID 19580460
1-bis(4-methylphenyl)phosphoryl-2-[[[2-bis(4-methylphenyl)phosphorylphenoxy]methyl-methylphosphoryl]methoxy]benzene
CID 15910881
1-bis[2-(methoxymethoxy)phenyl]phosphoryl-2-(methoxymethoxy)benzene
CID 84820824
2-diphenylphosphorylphenol
CID 626229
1-diphenylphosphorylnaphthalene
CID 11023927
1-diphenylphosphoryl-2-iodo-3-methoxybenzene
CID 14906787
1-(2-diphenylphosphorylphenoxy)-3-(4-methylphenyl)sulfonylpropan-2-one
CID 16761278
1-diethoxyphosphoryl-2-[2-[2-(2-diethoxyphosphorylphenoxy)ethoxy]ethoxy]benzene
CID 14246803
2-[carboxymethyl-[2-(2-chlorophenoxy)ethyl]amino]acetic acid
CID 63646826

Frequently Asked Questions

What is the IUPAC name of 2-(2-diphenylphosphorylphenoxy)-N,N-bis[2-(2-diphenylphosphorylphenoxy)ethyl]ethanamine?
The IUPAC name of 2-(2-diphenylphosphorylphenoxy)-N,N-bis[2-(2-diphenylphosphorylphenoxy)ethyl]ethanamine (CID 10748478) is 2-(2-diphenylphosphorylphenoxy)-N,N-bis[2-(2-diphenylphosphorylphenoxy)ethyl]ethanamine.
What is the SMILES notation for 2-(2-diphenylphosphorylphenoxy)-N,N-bis[2-(2-diphenylphosphorylphenoxy)ethyl]ethanamine?
The canonical SMILES for 2-(2-diphenylphosphorylphenoxy)-N,N-bis[2-(2-diphenylphosphorylphenoxy)ethyl]ethanamine is O=P(c1ccccc1)(c1ccccc1)c1ccccc1OCCN(CCOc1ccccc1P(=O)(c1ccccc1)c1ccccc1)CCOc1ccccc1P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(2-diphenylphosphorylphenoxy)-N,N-bis[2-(2-diphenylphosphorylphenoxy)ethyl]ethanamine?
The InChIKey is BMXAKPFZPFLENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H54NO6P3/c62-68(49-25-7-1-8-26-49,50-27-9-2-10-28-50)58-40-22-19-37-55(58)65-46-43-61(44-47-66-56-38-20-23-41-59(56)69(63,51-29-11-3-12-30-51)52-31-13-4-14-32-52)45-48-67-57-39-21-24-42-60(57)70(64,53-33-15-5-16-34-53)54-35-17-6-18-36-54/h1-42H,43-48H2.
What are the key properties of 2-(2-diphenylphosphorylphenoxy)-N,N-bis[2-(2-diphenylphosphorylphenoxy)ethyl]ethanamine?
2-(2-diphenylphosphorylphenoxy)-N,N-bis[2-(2-diphenylphosphorylphenoxy)ethyl]ethanamine has a molecular weight of 978.02 g/mol, XLogP of 9.44, 21 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-diphenylphosphorylphenoxy)-N,N-bis[2-(2-diphenylphosphorylphenoxy)ethyl]ethanamine is sourced from PubChem (CID 10748478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).