4,6-bis[2-[2-(2-diethylphosphanylethoxy)ethoxy]ethoxy]-N-[2-[2-(2-diethylphosphanylethoxy)ethoxy]ethyl]-1,3,5-triazin-2-amine

C33H67N4O8P3 — CID 165377098

IUPAC4,6-bis[2-[2-(2-diethylphosphanylethoxy)ethoxy]ethoxy]-N-[2-[2-(2-diethylphosphanylethoxy)ethoxy]ethyl]-1,3,5-triazin-2-amine
SMILESCCP(CC)CCOCCOCCNc1nc(OCCOCCOCCP(CC)CC)nc(OCCOCCOCCP(CC)CC)n1
InChIInChI=1S/C33H67N4O8P3/c1-7-46(8-2)28-25-41-18-15-38-14-13-34-31-35-32(44-23-21-39-16-19-42-26-29-47(9-3)10-4)37-33(36-31)45-24-22-40-17-20-43-27-30-48(11-5)12-6/h7-30H2,1-6H3,(H,34,35,36,37)
InChIKeySGFQMVLWMXZHNO-UHFFFAOYSA-N
MW740.84 g/mol
LogP5.71
Rot. Bonds36

About 4,6-bis[2-[2-(2-diethylphosphanylethoxy)ethoxy]ethoxy]-N-[2-[2-(2-diethylphosphanylethoxy)ethoxy]ethyl]-1,3,5-triazin-2-amine

4,6-bis[2-[2-(2-diethylphosphanylethoxy)ethoxy]ethoxy]-N-[2-[2-(2-diethylphosphanylethoxy)ethoxy]ethyl]-1,3,5-triazin-2-amine (PubChem CID 165377098) has the molecular formula C33H67N4O8P3 and a molecular weight of 740.84 g/mol. Its IUPAC name is 4,6-bis[2-[2-(2-diethylphosphanylethoxy)ethoxy]ethoxy]-N-[2-[2-(2-diethylphosphanylethoxy)ethoxy]ethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-bis[2-[2-(2-diethylphosphanylethoxy)ethoxy]ethoxy]-N-[2-[2-(2-diethylphosphanylethoxy)ethoxy]ethyl]-1,3,5-triazin-2-amine
PubChem CID165377098
Molecular FormulaC33H67N4O8P3
Molecular Weight740.84 g/mol
Exact Mass740.42
IUPAC Name4,6-bis[2-[2-(2-diethylphosphanylethoxy)ethoxy]ethoxy]-N-[2-[2-(2-diethylphosphanylethoxy)ethoxy]ethyl]-1,3,5-triazin-2-amine
SMILESCCP(CC)CCOCCOCCNc1nc(OCCOCCOCCP(CC)CC)nc(OCCOCCOCCP(CC)CC)n1
InChIInChI=1S/C33H67N4O8P3/c1-7-46(8-2)28-25-41-18-15-38-14-13-34-31-35-32(44-23-21-39-16-19-42-26-29-47(9-3)10-4)37-33(36-31)45-24-22-40-17-20-43-27-30-48(11-5)12-6/h7-30H2,1-6H3,(H,34,35,36,37)
InChIKeySGFQMVLWMXZHNO-UHFFFAOYSA-N
XLogP5.71
TPSA124.54 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds36
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500740.84
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

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 4,6-bis[2-[2-(2-diethylphosphanylethoxy)ethoxy]ethoxy]-N-[2-[2-(2-diethylphosphanylethoxy)ethoxy]ethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-bis[2-[2-(2-diethylphosphanylethoxy)ethoxy]ethoxy]-N-[2-[2-(2-diethylphosphanylethoxy)ethoxy]ethyl]-1,3,5-triazin-2-amine (CID 165377098) is 4,6-bis[2-[2-(2-diethylphosphanylethoxy)ethoxy]ethoxy]-N-[2-[2-(2-diethylphosphanylethoxy)ethoxy]ethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-bis[2-[2-(2-diethylphosphanylethoxy)ethoxy]ethoxy]-N-[2-[2-(2-diethylphosphanylethoxy)ethoxy]ethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-bis[2-[2-(2-diethylphosphanylethoxy)ethoxy]ethoxy]-N-[2-[2-(2-diethylphosphanylethoxy)ethoxy]ethyl]-1,3,5-triazin-2-amine is CCP(CC)CCOCCOCCNc1nc(OCCOCCOCCP(CC)CC)nc(OCCOCCOCCP(CC)CC)n1.
What is the InChIKey of 4,6-bis[2-[2-(2-diethylphosphanylethoxy)ethoxy]ethoxy]-N-[2-[2-(2-diethylphosphanylethoxy)ethoxy]ethyl]-1,3,5-triazin-2-amine?
The InChIKey is SGFQMVLWMXZHNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H67N4O8P3/c1-7-46(8-2)28-25-41-18-15-38-14-13-34-31-35-32(44-23-21-39-16-19-42-26-29-47(9-3)10-4)37-33(36-31)45-24-22-40-17-20-43-27-30-48(11-5)12-6/h7-30H2,1-6H3,(H,34,35,36,37).
What are the key properties of 4,6-bis[2-[2-(2-diethylphosphanylethoxy)ethoxy]ethoxy]-N-[2-[2-(2-diethylphosphanylethoxy)ethoxy]ethyl]-1,3,5-triazin-2-amine?
4,6-bis[2-[2-(2-diethylphosphanylethoxy)ethoxy]ethoxy]-N-[2-[2-(2-diethylphosphanylethoxy)ethoxy]ethyl]-1,3,5-triazin-2-amine has a molecular weight of 740.84 g/mol, XLogP of 5.71, 36 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis[2-[2-(2-diethylphosphanylethoxy)ethoxy]ethoxy]-N-[2-[2-(2-diethylphosphanylethoxy)ethoxy]ethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 165377098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).