2-N,4-N-bis[3-[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine

C40H90FN5O9Si6 — CID 176847615

IUPAC2-N,4-N-bis[3-[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine
SMILESCO[Si](CCCCCCCC[Si](C)(C)O[Si](C)(C)CCCNc1nc(NCCC[Si](C)(C)O[Si](C)(C)CCCCCCCC[Si](OC)(OC)OC)nc(OCF)n1)(OC)OC
InChIInChI=1S/C40H90FN5O9Si6/c1-47-60(48-2,49-3)35-25-21-17-15-19-23-31-56(7,8)54-58(11,12)33-27-29-42-38-44-39(46-40(45-38)53-37-41)43-30-28-34-59(13,14)55-57(9,10)32-24-20-16-18-22-26-36-61(50-4,51-5)52-6/h15-37H2,1-14H3,(H2,42,43,44,45,46)
InChIKeyQTGGAJHCBDJIKP-UHFFFAOYSA-N
MW972.70 g/mol
LogP11.07
Rot. Bonds40

About 2-N,4-N-bis[3-[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine

2-N,4-N-bis[3-[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 176847615) has the molecular formula C40H90FN5O9Si6 and a molecular weight of 972.70 g/mol. Its IUPAC name is 2-N,4-N-bis[3-[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis[3-[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine
PubChem CID176847615
Molecular FormulaC40H90FN5O9Si6
Molecular Weight972.70 g/mol
Exact Mass971.53
IUPAC Name2-N,4-N-bis[3-[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine
SMILESCO[Si](CCCCCCCC[Si](C)(C)O[Si](C)(C)CCCNc1nc(NCCC[Si](C)(C)O[Si](C)(C)CCCCCCCC[Si](OC)(OC)OC)nc(OCF)n1)(OC)OC
InChIInChI=1S/C40H90FN5O9Si6/c1-47-60(48-2,49-3)35-25-21-17-15-19-23-31-56(7,8)54-58(11,12)33-27-29-42-38-44-39(46-40(45-38)53-37-41)43-30-28-34-59(13,14)55-57(9,10)32-24-20-16-18-22-26-36-61(50-4,51-5)52-6/h15-37H2,1-14H3,(H2,42,43,44,45,46)
InChIKeyQTGGAJHCBDJIKP-UHFFFAOYSA-N
XLogP11.07
TPSA145.80 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds40
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500972.70
LogP ≤ 511.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis[3-[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis[3-[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine (CID 176847615) is 2-N,4-N-bis[3-[[dimethyl(8-trimethoxysilyloctyl)silyl]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(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis[3-[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine is CO[Si](CCCCCCCC[Si](C)(C)O[Si](C)(C)CCCNc1nc(NCCC[Si](C)(C)O[Si](C)(C)CCCCCCCC[Si](OC)(OC)OC)nc(OCF)n1)(OC)OC.
What is the InChIKey of 2-N,4-N-bis[3-[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is QTGGAJHCBDJIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H90FN5O9Si6/c1-47-60(48-2,49-3)35-25-21-17-15-19-23-31-56(7,8)54-58(11,12)33-27-29-42-38-44-39(46-40(45-38)53-37-41)43-30-28-34-59(13,14)55-57(9,10)32-24-20-16-18-22-26-36-61(50-4,51-5)52-6/h15-37H2,1-14H3,(H2,42,43,44,45,46).
What are the key properties of 2-N,4-N-bis[3-[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine?
2-N,4-N-bis[3-[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 972.70 g/mol, XLogP of 11.07, 40 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis[3-[[dimethyl(8-trimethoxysilyloctyl)silyl]oxy-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 176847615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).