2,4,6-tris[10-(didecylamino)decyl]phenol

C96H189N3O — CID 150630687

IUPAC2,4,6-tris[10-(didecylamino)decyl]phenol
SMILESCCCCCCCCCCN(CCCCCCCCCC)CCCCCCCCCCc1cc(CCCCCCCCCCN(CCCCCCCCCC)CCCCCCCCCC)c(O)c(CCCCCCCCCCN(CCCCCCCCCC)CCCCCCCCCC)c1
InChIInChI=1S/C96H189N3O/c1-7-13-19-25-31-46-58-70-82-97(83-71-59-47-32-26-20-14-8-2)88-76-64-52-40-37-43-55-67-79-93-91-94(80-68-56-44-38-41-53-65-77-89-98(84-72-60-48-33-27-21-15-9-3)85-73-61-49-34-28-22-16-10-4)96(100)95(92-93)81-69-57-45-39-42-54-66-78-90-99(86-74-62-50-35-29-23-17-11-5)87-75-63-51-36-30-24-18-12-6/h91-92,100H,7-90H2,1-6H3
InChIKeyIXUYPEYJMKMJFA-UHFFFAOYSA-N
MW1401.59 g/mol
LogP32.13
Rot. Bonds87

About 2,4,6-tris[10-(didecylamino)decyl]phenol

2,4,6-tris[10-(didecylamino)decyl]phenol (PubChem CID 150630687) has the molecular formula C96H189N3O and a molecular weight of 1401.59 g/mol. Its IUPAC name is 2,4,6-tris[10-(didecylamino)decyl]phenol.

Molecular Properties

Compound Name2,4,6-tris[10-(didecylamino)decyl]phenol
PubChem CID150630687
Molecular FormulaC96H189N3O
Molecular Weight1401.59 g/mol
Exact Mass1400.48
IUPAC Name2,4,6-tris[10-(didecylamino)decyl]phenol
SMILESCCCCCCCCCCN(CCCCCCCCCC)CCCCCCCCCCc1cc(CCCCCCCCCCN(CCCCCCCCCC)CCCCCCCCCC)c(O)c(CCCCCCCCCCN(CCCCCCCCCC)CCCCCCCCCC)c1
InChIInChI=1S/C96H189N3O/c1-7-13-19-25-31-46-58-70-82-97(83-71-59-47-32-26-20-14-8-2)88-76-64-52-40-37-43-55-67-79-93-91-94(80-68-56-44-38-41-53-65-77-89-98(84-72-60-48-33-27-21-15-9-3)85-73-61-49-34-28-22-16-10-4)96(100)95(92-93)81-69-57-45-39-42-54-66-78-90-99(86-74-62-50-35-29-23-17-11-5)87-75-63-51-36-30-24-18-12-6/h91-92,100H,7-90H2,1-6H3
InChIKeyIXUYPEYJMKMJFA-UHFFFAOYSA-N
XLogP32.13
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds87
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001401.59
LogP ≤ 532.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-triheptylphenol
CID 139692303
4-butyl-2,6-didodecylphenol
CID 66619638
2-ethyl-4-heptyl-6-pentylphenol
CID 66879967
2-butyl-4-pentyl-6-propylphenol
CID 66878895
2-butyl-6-ethyl-4-pentylphenol
CID 66879170
2,4,6-tris[10-(dimethylamino)decyl]phenol
CID 150884790
2-[[bis(2-methylpropyl)amino]methyl]-4,6-di(nonyl)phenol
CID 23346787
2-(methylaminomethyl)-4,6-di(nonyl)phenol
CID 23346792
2,6-diethyl-4-pentylphenol
CID 66879488
2,4,6-tributylphenol;zirconium(2+);dichloride
CID 174692892
2-ethyl-6-pentyl-4-propylphenol
CID 66878892
2-(2-hydroxy-3,5-dioctadecylphenyl)sulfanyl-4,6-dioctadecylphenol
CID 21499299

Frequently Asked Questions

What is the IUPAC name of 2,4,6-tris[10-(didecylamino)decyl]phenol?
The IUPAC name of 2,4,6-tris[10-(didecylamino)decyl]phenol (CID 150630687) is 2,4,6-tris[10-(didecylamino)decyl]phenol.
What is the SMILES notation for 2,4,6-tris[10-(didecylamino)decyl]phenol?
The canonical SMILES for 2,4,6-tris[10-(didecylamino)decyl]phenol is CCCCCCCCCCN(CCCCCCCCCC)CCCCCCCCCCc1cc(CCCCCCCCCCN(CCCCCCCCCC)CCCCCCCCCC)c(O)c(CCCCCCCCCCN(CCCCCCCCCC)CCCCCCCCCC)c1.
What is the InChIKey of 2,4,6-tris[10-(didecylamino)decyl]phenol?
The InChIKey is IXUYPEYJMKMJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H189N3O/c1-7-13-19-25-31-46-58-70-82-97(83-71-59-47-32-26-20-14-8-2)88-76-64-52-40-37-43-55-67-79-93-91-94(80-68-56-44-38-41-53-65-77-89-98(84-72-60-48-33-27-21-15-9-3)85-73-61-49-34-28-22-16-10-4)96(100)95(92-93)81-69-57-45-39-42-54-66-78-90-99(86-74-62-50-35-29-23-17-11-5)87-75-63-51-36-30-24-18-12-6/h91-92,100H,7-90H2,1-6H3.
What are the key properties of 2,4,6-tris[10-(didecylamino)decyl]phenol?
2,4,6-tris[10-(didecylamino)decyl]phenol has a molecular weight of 1401.59 g/mol, XLogP of 32.13, 87 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-tris[10-(didecylamino)decyl]phenol is sourced from PubChem (CID 150630687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).