2-(dibenzylamino)-3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,1,1-triphenylpropan-2-ol

C45H53NO7 — CID 142077228

About 2-(dibenzylamino)-3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,1,1-triphenylpropan-2-ol

2-(dibenzylamino)-3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,1,1-triphenylpropan-2-ol (PubChem CID 142077228) has the molecular formula C45H53NO7 and a molecular weight of 719.92 g/mol. Its IUPAC name is 2-(dibenzylamino)-3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,1,1-triphenylpropan-2-ol.

Molecular Properties

• Compound Name: 2-(dibenzylamino)-3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,1,1-triphenylpropan-2-ol
• PubChem CID: 142077228
• Molecular Formula: C45H53NO7
• Molecular Weight: 719.92 g/mol
• Exact Mass: 719.38
• IUPAC Name: 2-(dibenzylamino)-3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,1,1-triphenylpropan-2-ol
• SMILES: OCCOCCOCCOCCOCCOCC(O)(N(Cc1ccccc1)Cc1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C45H53NO7/c47-26-27-49-28-29-50-30-31-51-32-33-52-34-35-53-38-44(48,46(36-39-16-6-1-7-17-39)37-40-18-8-2-9-19-40)45(41-20-10-3-11-21-41,42-22-12-4-13-23-42)43-24-14-5-15-25-43/h1-25,47-48H,26-38H2
• InChIKey: SPIBBMRQYJIBJQ-UHFFFAOYSA-N
• XLogP: 6.49
• TPSA: 89.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 25
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	719.92
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(dibenzylamino)-3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,1,1-triphenylpropan-2-ol?

The IUPAC name of 2-(dibenzylamino)-3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,1,1-triphenylpropan-2-ol (CID 142077228) is 2-(dibenzylamino)-3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,1,1-triphenylpropan-2-ol.

What is the SMILES notation for 2-(dibenzylamino)-3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,1,1-triphenylpropan-2-ol?

The canonical SMILES for 2-(dibenzylamino)-3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,1,1-triphenylpropan-2-ol is OCCOCCOCCOCCOCCOCC(O)(N(Cc1ccccc1)Cc1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1.

What is the InChIKey of 2-(dibenzylamino)-3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,1,1-triphenylpropan-2-ol?

The InChIKey is SPIBBMRQYJIBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H53NO7/c47-26-27-49-28-29-50-30-31-51-32-33-52-34-35-53-38-44(48,46(36-39-16-6-1-7-17-39)37-40-18-8-2-9-19-40)45(41-20-10-3-11-21-41,42-22-12-4-13-23-42)43-24-14-5-15-25-43/h1-25,47-48H,26-38H2.

What are the key properties of 2-(dibenzylamino)-3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,1,1-triphenylpropan-2-ol?

2-(dibenzylamino)-3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,1,1-triphenylpropan-2-ol has a molecular weight of 719.92 g/mol, XLogP of 6.49, 25 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dibenzylamino)-3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,1,1-triphenylpropan-2-ol is sourced from PubChem (CID 142077228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).