2-[2-[bis(2-phenylethyl)phosphanyl]ethoxy]-N,N-bis[2-[2-[bis(2-phenylethyl)phosphanyl]ethoxy]ethyl]ethanamine

C60H78NO3P3 — CID 102366508

IUPAC2-[2-[bis(2-phenylethyl)phosphanyl]ethoxy]-N,N-bis[2-[2-[bis(2-phenylethyl)phosphanyl]ethoxy]ethyl]ethanamine
SMILESc1ccc(CCP(CCOCCN(CCOCCP(CCc2ccccc2)CCc2ccccc2)CCOCCP(CCc2ccccc2)CCc2ccccc2)CCc2ccccc2)cc1
InChIInChI=1S/C60H78NO3P3/c1-7-19-55(20-8-1)31-46-65(47-32-56-21-9-2-10-22-56)52-43-62-40-37-61(38-41-63-44-53-66(48-33-57-23-11-3-12-24-57)49-34-58-25-13-4-14-26-58)39-42-64-45-54-67(50-35-59-27-15-5-16-28-59)51-36-60-29-17-6-18-30-60/h1-30H,31-54H2
InChIKeyFNDHEUXZHKPOCE-UHFFFAOYSA-N
MW954.21 g/mol
LogP13.24
Rot. Bonds36

About 2-[2-[bis(2-phenylethyl)phosphanyl]ethoxy]-N,N-bis[2-[2-[bis(2-phenylethyl)phosphanyl]ethoxy]ethyl]ethanamine

2-[2-[bis(2-phenylethyl)phosphanyl]ethoxy]-N,N-bis[2-[2-[bis(2-phenylethyl)phosphanyl]ethoxy]ethyl]ethanamine (PubChem CID 102366508) has the molecular formula C60H78NO3P3 and a molecular weight of 954.21 g/mol. Its IUPAC name is 2-[2-[bis(2-phenylethyl)phosphanyl]ethoxy]-N,N-bis[2-[2-[bis(2-phenylethyl)phosphanyl]ethoxy]ethyl]ethanamine.

Molecular Properties

Compound Name2-[2-[bis(2-phenylethyl)phosphanyl]ethoxy]-N,N-bis[2-[2-[bis(2-phenylethyl)phosphanyl]ethoxy]ethyl]ethanamine
PubChem CID102366508
Molecular FormulaC60H78NO3P3
Molecular Weight954.21 g/mol
Exact Mass953.52
IUPAC Name2-[2-[bis(2-phenylethyl)phosphanyl]ethoxy]-N,N-bis[2-[2-[bis(2-phenylethyl)phosphanyl]ethoxy]ethyl]ethanamine
SMILESc1ccc(CCP(CCOCCN(CCOCCP(CCc2ccccc2)CCc2ccccc2)CCOCCP(CCc2ccccc2)CCc2ccccc2)CCc2ccccc2)cc1
InChIInChI=1S/C60H78NO3P3/c1-7-19-55(20-8-1)31-46-65(47-32-56-21-9-2-10-22-56)52-43-62-40-37-61(38-41-63-44-53-66(48-33-57-23-11-3-12-24-57)49-34-58-25-13-4-14-26-58)39-42-64-45-54-67(50-35-59-27-15-5-16-28-59)51-36-60-29-17-6-18-30-60/h1-30H,31-54H2
InChIKeyFNDHEUXZHKPOCE-UHFFFAOYSA-N
XLogP13.24
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds36
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500954.21
LogP ≤ 513.24
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'}

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Related Compounds

dibenzyl-[2-(2-dibenzylphosphanylethoxy)ethyl]phosphane
CID 12037877
N,N-bis(2-methoxyethyl)-2-phenylethanamine
CID 16753331
2-[2-[2-aminoethyl(benzyl)amino]ethoxy]ethanol
CID 61069966
tris[2-(1-benzylpyridin-1-ium-4-yl)ethyl]phosphane
CID 3075455
CID 58731637
CID 58731637
N'-(2-methoxyethyl)-N'-(2-phenylethyl)ethane-1,2-diamine
CID 115869763
N-benzyl-N-methyl-2-(3-phenylpropoxy)ethanamine
CID 70694658
8-(8-phenyloctoxy)octylbenzene
CID 56628536
6-phenyl-N,N-bis(6-phenylhexyl)hexan-1-amine
CID 21451220
2-(2-phenylethoxymethoxy)ethylbenzene
CID 14767491
N,N-dimethyl-2-(3-phenylpropoxy)ethanamine;oxalic acid
CID 70682052
benzene;2-phenylethylbenzene
CID 18982764

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(2-phenylethyl)phosphanyl]ethoxy]-N,N-bis[2-[2-[bis(2-phenylethyl)phosphanyl]ethoxy]ethyl]ethanamine?
The IUPAC name of 2-[2-[bis(2-phenylethyl)phosphanyl]ethoxy]-N,N-bis[2-[2-[bis(2-phenylethyl)phosphanyl]ethoxy]ethyl]ethanamine (CID 102366508) is 2-[2-[bis(2-phenylethyl)phosphanyl]ethoxy]-N,N-bis[2-[2-[bis(2-phenylethyl)phosphanyl]ethoxy]ethyl]ethanamine.
What is the SMILES notation for 2-[2-[bis(2-phenylethyl)phosphanyl]ethoxy]-N,N-bis[2-[2-[bis(2-phenylethyl)phosphanyl]ethoxy]ethyl]ethanamine?
The canonical SMILES for 2-[2-[bis(2-phenylethyl)phosphanyl]ethoxy]-N,N-bis[2-[2-[bis(2-phenylethyl)phosphanyl]ethoxy]ethyl]ethanamine is c1ccc(CCP(CCOCCN(CCOCCP(CCc2ccccc2)CCc2ccccc2)CCOCCP(CCc2ccccc2)CCc2ccccc2)CCc2ccccc2)cc1.
What is the InChIKey of 2-[2-[bis(2-phenylethyl)phosphanyl]ethoxy]-N,N-bis[2-[2-[bis(2-phenylethyl)phosphanyl]ethoxy]ethyl]ethanamine?
The InChIKey is FNDHEUXZHKPOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H78NO3P3/c1-7-19-55(20-8-1)31-46-65(47-32-56-21-9-2-10-22-56)52-43-62-40-37-61(38-41-63-44-53-66(48-33-57-23-11-3-12-24-57)49-34-58-25-13-4-14-26-58)39-42-64-45-54-67(50-35-59-27-15-5-16-28-59)51-36-60-29-17-6-18-30-60/h1-30H,31-54H2.
What are the key properties of 2-[2-[bis(2-phenylethyl)phosphanyl]ethoxy]-N,N-bis[2-[2-[bis(2-phenylethyl)phosphanyl]ethoxy]ethyl]ethanamine?
2-[2-[bis(2-phenylethyl)phosphanyl]ethoxy]-N,N-bis[2-[2-[bis(2-phenylethyl)phosphanyl]ethoxy]ethyl]ethanamine has a molecular weight of 954.21 g/mol, XLogP of 13.24, 36 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(2-phenylethyl)phosphanyl]ethoxy]-N,N-bis[2-[2-[bis(2-phenylethyl)phosphanyl]ethoxy]ethyl]ethanamine is sourced from PubChem (CID 102366508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).