2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-2-N,4-N,6-N-tris(trimethylsilyl)-1,3,5-triazine-2,4,6-triamine

C39H90N6O9Si6 — CID 142752697

IUPAC2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-2-N,4-N,6-N-tris(trimethylsilyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCO[Si](CCCN(c1nc(N(CCC[Si](OCC)(OCC)OCC)[Si](C)(C)C)nc(N(CCC[Si](OCC)(OCC)OCC)[Si](C)(C)C)n1)[Si](C)(C)C)(OCC)OCC
InChIInChI=1S/C39H90N6O9Si6/c1-19-46-58(47-20-2,48-21-3)34-28-31-43(55(10,11)12)37-40-38(44(56(13,14)15)32-29-35-59(49-22-4,50-23-5)51-24-6)42-39(41-37)45(57(16,17)18)33-30-36-60(52-25-7,53-26-8)54-27-9/h19-36H2,1-18H3
InChIKeyXRIVASAJNGTWII-UHFFFAOYSA-N
MW955.70 g/mol
LogP9.11
Rot. Bonds36

About 2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-2-N,4-N,6-N-tris(trimethylsilyl)-1,3,5-triazine-2,4,6-triamine

2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-2-N,4-N,6-N-tris(trimethylsilyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 142752697) has the molecular formula C39H90N6O9Si6 and a molecular weight of 955.70 g/mol. Its IUPAC name is 2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-2-N,4-N,6-N-tris(trimethylsilyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-2-N,4-N,6-N-tris(trimethylsilyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID142752697
Molecular FormulaC39H90N6O9Si6
Molecular Weight955.70 g/mol
Exact Mass954.54
IUPAC Name2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-2-N,4-N,6-N-tris(trimethylsilyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCO[Si](CCCN(c1nc(N(CCC[Si](OCC)(OCC)OCC)[Si](C)(C)C)nc(N(CCC[Si](OCC)(OCC)OCC)[Si](C)(C)C)n1)[Si](C)(C)C)(OCC)OCC
InChIInChI=1S/C39H90N6O9Si6/c1-19-46-58(47-20-2,48-21-3)34-28-31-43(55(10,11)12)37-40-38(44(56(13,14)15)32-29-35-59(49-22-4,50-23-5)51-24-6)42-39(41-37)45(57(16,17)18)33-30-36-60(52-25-7,53-26-8)54-27-9/h19-36H2,1-18H3
InChIKeyXRIVASAJNGTWII-UHFFFAOYSA-N
XLogP9.11
TPSA131.46 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds36
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500955.70
LogP ≤ 59.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-2-N,4-N,6-N-tris(trimethylsilyl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-2-N,4-N,6-N-tris(trimethylsilyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-2-N,4-N,6-N-tris(trimethylsilyl)-1,3,5-triazine-2,4,6-triamine (CID 142752697) is 2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-2-N,4-N,6-N-tris(trimethylsilyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-2-N,4-N,6-N-tris(trimethylsilyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-2-N,4-N,6-N-tris(trimethylsilyl)-1,3,5-triazine-2,4,6-triamine is CCO[Si](CCCN(c1nc(N(CCC[Si](OCC)(OCC)OCC)[Si](C)(C)C)nc(N(CCC[Si](OCC)(OCC)OCC)[Si](C)(C)C)n1)[Si](C)(C)C)(OCC)OCC.
What is the InChIKey of 2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-2-N,4-N,6-N-tris(trimethylsilyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is XRIVASAJNGTWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H90N6O9Si6/c1-19-46-58(47-20-2,48-21-3)34-28-31-43(55(10,11)12)37-40-38(44(56(13,14)15)32-29-35-59(49-22-4,50-23-5)51-24-6)42-39(41-37)45(57(16,17)18)33-30-36-60(52-25-7,53-26-8)54-27-9/h19-36H2,1-18H3.
What are the key properties of 2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-2-N,4-N,6-N-tris(trimethylsilyl)-1,3,5-triazine-2,4,6-triamine?
2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-2-N,4-N,6-N-tris(trimethylsilyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 955.70 g/mol, XLogP of 9.11, 36 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N,6-N-tris(3-triethoxysilylpropyl)-2-N,4-N,6-N-tris(trimethylsilyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 142752697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).