2-N,4-N,6-N,6-N-tetrakis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]-2-N,4-N-bis(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine

C67H162N6O20Si14 — CID 89404002

About 2-N,4-N,6-N,6-N-tetrakis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]-2-N,4-N-bis(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine

2-N,4-N,6-N,6-N-tetrakis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]-2-N,4-N-bis(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 89404002) has the molecular formula C67H162N6O20Si14 and a molecular weight of 1765.26 g/mol. Its IUPAC name is 2-N,4-N,6-N,6-N-tetrakis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]-2-N,4-N-bis(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

• Compound Name: 2-N,4-N,6-N,6-N-tetrakis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]-2-N,4-N-bis(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine
• PubChem CID: 89404002
• Molecular Formula: C67H162N6O20Si14
• Molecular Weight: 1765.26 g/mol
• Exact Mass: 1762.86
• IUPAC Name: 2-N,4-N,6-N,6-N-tetrakis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]-2-N,4-N-bis(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine
• SMILES: CCO[Si](CCCOCN(COCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)c1nc(N(COCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)COCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)nc(N(COCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)COCCC[Si](OCC)(OCC)OCC)n1)(OCC)OCC
• InChI: InChI=1S/C67H162N6O20Si14/c1-35-80-106(81-36-2,82-37-3)57-45-51-78-63-72(61-76-49-43-55-104(33,90-98(19,20)21)91-99(22,23)24)66-68-65(71(59-74-47-41-53-102(31,86-94(7,8)9)87-95(10,11)12)60-75-48-42-54-103(32,88-96(13,14)15)89-97(16,17)18)69-67(70-66)73(64-79-52-46-58-107(83-38-4,84-39-5)85-40-6)62-77-50-44-56-105(34,92-100(25,26)27)93-101(28,29)30/h35-64H2,1-34H3
• InChIKey: CORSJNPHBKRHON-UHFFFAOYSA-N
• XLogP: 17.67
• TPSA: 232.99 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 67
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1765.26
LogP ≤ 5	17.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N,6-N,6-N-tetrakis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]-2-N,4-N-bis(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine?

The IUPAC name of 2-N,4-N,6-N,6-N-tetrakis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]-2-N,4-N-bis(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine (CID 89404002) is 2-N,4-N,6-N,6-N-tetrakis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]-2-N,4-N-bis(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine.

What is the SMILES notation for 2-N,4-N,6-N,6-N-tetrakis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]-2-N,4-N-bis(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine?

The canonical SMILES for 2-N,4-N,6-N,6-N-tetrakis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]-2-N,4-N-bis(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine is CCO[Si](CCCOCN(COCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)c1nc(N(COCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)COCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)nc(N(COCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)COCCC[Si](OCC)(OCC)OCC)n1)(OCC)OCC.

What is the InChIKey of 2-N,4-N,6-N,6-N-tetrakis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]-2-N,4-N-bis(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine?

The InChIKey is CORSJNPHBKRHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H162N6O20Si14/c1-35-80-106(81-36-2,82-37-3)57-45-51-78-63-72(61-76-49-43-55-104(33,90-98(19,20)21)91-99(22,23)24)66-68-65(71(59-74-47-41-53-102(31,86-94(7,8)9)87-95(10,11)12)60-75-48-42-54-103(32,88-96(13,14)15)89-97(16,17)18)69-67(70-66)73(64-79-52-46-58-107(83-38-4,84-39-5)85-40-6)62-77-50-44-56-105(34,92-100(25,26)27)93-101(28,29)30/h35-64H2,1-34H3.

What are the key properties of 2-N,4-N,6-N,6-N-tetrakis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]-2-N,4-N-bis(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine?

2-N,4-N,6-N,6-N-tetrakis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]-2-N,4-N-bis(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 1765.26 g/mol, XLogP of 17.67, 67 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,4-N,6-N,6-N-tetrakis[3-[methyl-bis(trimethylsilyloxy)silyl]propoxymethyl]-2-N,4-N-bis(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 89404002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).