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

C44H98FN5O7Si6 — CID 177125352

IUPAC2-N,4-N-bis[3-[2-[dimethyl(8-trimethoxysilyloctyl)silyl]ethyl-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine
SMILESCO[Si](CCCCCCCC[Si](C)(C)CC[Si](C)(C)CCCNc1nc(NCCC[Si](C)(C)CC[Si](C)(C)CCCCCCCC[Si](OC)(OC)OC)nc(OCF)n1)(OC)OC
InChIInChI=1S/C44H98FN5O7Si6/c1-51-62(52-2,53-3)35-25-21-17-15-19-23-31-58(7,8)37-39-60(11,12)33-27-29-46-42-48-43(50-44(49-42)57-41-45)47-30-28-34-61(13,14)40-38-59(9,10)32-24-20-16-18-22-26-36-63(54-4,55-5)56-6/h15-41H2,1-14H3,(H2,46,47,48,49,50)
InChIKeyFANWZFLCEFWUHW-UHFFFAOYSA-N
MW996.81 g/mol
LogP13.05
Rot. Bonds42

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

2-N,4-N-bis[3-[2-[dimethyl(8-trimethoxysilyloctyl)silyl]ethyl-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 177125352) has the molecular formula C44H98FN5O7Si6 and a molecular weight of 996.81 g/mol. Its IUPAC name is 2-N,4-N-bis[3-[2-[dimethyl(8-trimethoxysilyloctyl)silyl]ethyl-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis[3-[2-[dimethyl(8-trimethoxysilyloctyl)silyl]ethyl-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine
PubChem CID177125352
Molecular FormulaC44H98FN5O7Si6
Molecular Weight996.81 g/mol
Exact Mass995.61
IUPAC Name2-N,4-N-bis[3-[2-[dimethyl(8-trimethoxysilyloctyl)silyl]ethyl-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine
SMILESCO[Si](CCCCCCCC[Si](C)(C)CC[Si](C)(C)CCCNc1nc(NCCC[Si](C)(C)CC[Si](C)(C)CCCCCCCC[Si](OC)(OC)OC)nc(OCF)n1)(OC)OC
InChIInChI=1S/C44H98FN5O7Si6/c1-51-62(52-2,53-3)35-25-21-17-15-19-23-31-58(7,8)37-39-60(11,12)33-27-29-46-42-48-43(50-44(49-42)57-41-45)47-30-28-34-61(13,14)40-38-59(9,10)32-24-20-16-18-22-26-36-63(54-4,55-5)56-6/h15-41H2,1-14H3,(H2,46,47,48,49,50)
InChIKeyFANWZFLCEFWUHW-UHFFFAOYSA-N
XLogP13.05
TPSA127.34 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds42
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500996.81
LogP ≤ 513.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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-[2-[dimethyl(8-trimethoxysilyloctyl)silyl]ethyl-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis[3-[2-[dimethyl(8-trimethoxysilyloctyl)silyl]ethyl-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine (CID 177125352) is 2-N,4-N-bis[3-[2-[dimethyl(8-trimethoxysilyloctyl)silyl]ethyl-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis[3-[2-[dimethyl(8-trimethoxysilyloctyl)silyl]ethyl-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis[3-[2-[dimethyl(8-trimethoxysilyloctyl)silyl]ethyl-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine is CO[Si](CCCCCCCC[Si](C)(C)CC[Si](C)(C)CCCNc1nc(NCCC[Si](C)(C)CC[Si](C)(C)CCCCCCCC[Si](OC)(OC)OC)nc(OCF)n1)(OC)OC.
What is the InChIKey of 2-N,4-N-bis[3-[2-[dimethyl(8-trimethoxysilyloctyl)silyl]ethyl-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is FANWZFLCEFWUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H98FN5O7Si6/c1-51-62(52-2,53-3)35-25-21-17-15-19-23-31-58(7,8)37-39-60(11,12)33-27-29-46-42-48-43(50-44(49-42)57-41-45)47-30-28-34-61(13,14)40-38-59(9,10)32-24-20-16-18-22-26-36-63(54-4,55-5)56-6/h15-41H2,1-14H3,(H2,46,47,48,49,50).
What are the key properties of 2-N,4-N-bis[3-[2-[dimethyl(8-trimethoxysilyloctyl)silyl]ethyl-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine?
2-N,4-N-bis[3-[2-[dimethyl(8-trimethoxysilyloctyl)silyl]ethyl-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 996.81 g/mol, XLogP of 13.05, 42 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis[3-[2-[dimethyl(8-trimethoxysilyloctyl)silyl]ethyl-dimethylsilyl]propyl]-6-(fluoromethoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 177125352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).