2-N,4-N-bis[3-[[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine

C34H82FN5O11Si8 — CID 176847545

About 2-N,4-N-bis[3-[[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine

2-N,4-N-bis[3-[[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 176847545) has the molecular formula C34H82FN5O11Si8 and a molecular weight of 980.74 g/mol. Its IUPAC name is 2-N,4-N-bis[3-[[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

• Compound Name: 2-N,4-N-bis[3-[[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine
• PubChem CID: 176847545
• Molecular Formula: C34H82FN5O11Si8
• Molecular Weight: 980.74 g/mol
• Exact Mass: 979.41
• IUPAC Name: 2-N,4-N-bis[3-[[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine
• SMILES: CO[Si](CCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCNc1nc(NCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCC[Si](OC)(OC)OC)nc(OCF)n1)(OC)OC
• InChI: InChI=1S/C34H82FN5O11Si8/c1-41-58(42-2,43-3)29-21-27-54(11,12)50-56(15,16)48-52(7,8)25-19-23-36-32-38-33(40-34(39-32)47-31-35)37-24-20-26-53(9,10)49-57(17,18)51-55(13,14)28-22-30-59(44-4,45-5)46-6/h19-31H2,1-18H3,(H2,36,37,38,39,40)
• InChIKey: WHKCBLFDPZNXEF-UHFFFAOYSA-N
• XLogP: 8.61
• TPSA: 164.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 34
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	980.74
LogP ≤ 5	8.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis[3-[[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine?

The IUPAC name of 2-N,4-N-bis[3-[[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine (CID 176847545) is 2-N,4-N-bis[3-[[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine.

What is the SMILES notation for 2-N,4-N-bis[3-[[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine?

The canonical SMILES for 2-N,4-N-bis[3-[[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine is CO[Si](CCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCNc1nc(NCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCC[Si](OC)(OC)OC)nc(OCF)n1)(OC)OC.

What is the InChIKey of 2-N,4-N-bis[3-[[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine?

The InChIKey is WHKCBLFDPZNXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H82FN5O11Si8/c1-41-58(42-2,43-3)29-21-27-54(11,12)50-56(15,16)48-52(7,8)25-19-23-36-32-38-33(40-34(39-32)47-31-35)37-24-20-26-53(9,10)49-57(17,18)51-55(13,14)28-22-30-59(44-4,45-5)46-6/h19-31H2,1-18H3,(H2,36,37,38,39,40).

What are the key properties of 2-N,4-N-bis[3-[[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine?

2-N,4-N-bis[3-[[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 980.74 g/mol, XLogP of 8.61, 34 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N,4-N-bis[3-[[[dimethyl(3-trimethoxysilylpropyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 176847545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).