4-N-[3-[[3-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-[3-[ethoxy(dipropyl)silyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N-tris(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine

C104H226N12O35Si10 — CID 58418637

IUPAC4-N-[3-[[3-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-[3-[ethoxy(dipropyl)silyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N-tris(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCC[Si](CCC)(CCCOCN(COC)c1nc(N(COCCC[Si](C)(C)O[Si](C)(C)CCCOCN(COCCC[Si](OCC)(OCC)OCC)c2nc(N(COC)COCCC[Si](OCC)(OCC)OCC)nc(N(COCCC[Si](OCC)(OCC)OCC)COCCC[Si](OCC)(OCC)OCC)n2)COCCC[Si](OCC)(OCC)OCC)nc(N(COCCC[Si](OCC)(OCC)OCC)COCCC[Si](OCC)(OCC)OCC)n1)OCC
InChIInChI=1S/C104H226N12O35Si10/c1-31-75-154(76-32-2,129-33-3)79-57-67-121-89-111(87-117-25)99-105-101(109-103(106-99)115(95-125-71-61-83-158(139-43-13,140-44-14)141-45-15)96-126-72-62-84-159(142-46-16,143-47-17)144-48-18)113(93-123-69-59-81-156(133-37-7,134-38-8)135-39-9)91-119-65-55-77-152(27,28)151-153(29,30)78-56-66-120-92-114(94-124-70-60-82-157(136-40-10,137-41-11)138-42-12)102-107-100(112(88-118-26)90-122-68-58-80-155(130-34-4,131-35-5)132-36-6)108-104(110-102)116(97-127-73-63-85-160(145-49-19,146-50-20)147-51-21)98-128-74-64-86-161(148-52-22,149-53-23)150-54-24/h31-98H2,1-30H3
InChIKeyKHAVSVBZIUMZCO-UHFFFAOYSA-N
MW2485.86 g/mol
LogP19.01
Rot. Bonds120

About 4-N-[3-[[3-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-[3-[ethoxy(dipropyl)silyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N-tris(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine

4-N-[3-[[3-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-[3-[ethoxy(dipropyl)silyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N-tris(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 58418637) has the molecular formula C104H226N12O35Si10 and a molecular weight of 2485.86 g/mol. Its IUPAC name is 4-N-[3-[[3-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-[3-[ethoxy(dipropyl)silyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N-tris(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[3-[[3-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-[3-[ethoxy(dipropyl)silyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N-tris(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID58418637
Molecular FormulaC104H226N12O35Si10
Molecular Weight2485.86 g/mol
Exact Mass2483.40
IUPAC Name4-N-[3-[[3-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-[3-[ethoxy(dipropyl)silyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N-tris(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCC[Si](CCC)(CCCOCN(COC)c1nc(N(COCCC[Si](C)(C)O[Si](C)(C)CCCOCN(COCCC[Si](OCC)(OCC)OCC)c2nc(N(COC)COCCC[Si](OCC)(OCC)OCC)nc(N(COCCC[Si](OCC)(OCC)OCC)COCCC[Si](OCC)(OCC)OCC)n2)COCCC[Si](OCC)(OCC)OCC)nc(N(COCCC[Si](OCC)(OCC)OCC)COCCC[Si](OCC)(OCC)OCC)n1)OCC
InChIInChI=1S/C104H226N12O35Si10/c1-31-75-154(76-32-2,129-33-3)79-57-67-121-89-111(87-117-25)99-105-101(109-103(106-99)115(95-125-71-61-83-158(139-43-13,140-44-14)141-45-15)96-126-72-62-84-159(142-46-16,143-47-17)144-48-18)113(93-123-69-59-81-156(133-37-7,134-38-8)135-39-9)91-119-65-55-77-152(27,28)151-153(29,30)78-56-66-120-92-114(94-124-70-60-82-157(136-40-10,137-41-11)138-42-12)102-107-100(112(88-118-26)90-122-68-58-80-155(130-34-4,131-35-5)132-36-6)108-104(110-102)116(97-127-73-63-85-160(145-49-19,146-50-20)147-51-21)98-128-74-64-86-161(148-52-22,149-53-23)150-54-24/h31-98H2,1-30H3
InChIKeyKHAVSVBZIUMZCO-UHFFFAOYSA-N
XLogP19.01
TPSA419.83 Ų
H-Bond Donors
H-Bond Acceptors47
Rotatable Bonds120
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002485.86
LogP ≤ 519.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1047

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'}

Analyze 4-N-[3-[[3-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-[3-[ethoxy(dipropyl)silyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N-tris(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-[3-[[3-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-[3-[ethoxy(dipropyl)silyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N-tris(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-[3-[[3-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-[3-[ethoxy(dipropyl)silyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N-tris(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine (CID 58418637) is 4-N-[3-[[3-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-[3-[ethoxy(dipropyl)silyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N-tris(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-[3-[[3-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-[3-[ethoxy(dipropyl)silyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N-tris(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-[3-[[3-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-[3-[ethoxy(dipropyl)silyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N-tris(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine is CCC[Si](CCC)(CCCOCN(COC)c1nc(N(COCCC[Si](C)(C)O[Si](C)(C)CCCOCN(COCCC[Si](OCC)(OCC)OCC)c2nc(N(COC)COCCC[Si](OCC)(OCC)OCC)nc(N(COCCC[Si](OCC)(OCC)OCC)COCCC[Si](OCC)(OCC)OCC)n2)COCCC[Si](OCC)(OCC)OCC)nc(N(COCCC[Si](OCC)(OCC)OCC)COCCC[Si](OCC)(OCC)OCC)n1)OCC.
What is the InChIKey of 4-N-[3-[[3-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-[3-[ethoxy(dipropyl)silyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N-tris(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is KHAVSVBZIUMZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H226N12O35Si10/c1-31-75-154(76-32-2,129-33-3)79-57-67-121-89-111(87-117-25)99-105-101(109-103(106-99)115(95-125-71-61-83-158(139-43-13,140-44-14)141-45-15)96-126-72-62-84-159(142-46-16,143-47-17)144-48-18)113(93-123-69-59-81-156(133-37-7,134-38-8)135-39-9)91-119-65-55-77-152(27,28)151-153(29,30)78-56-66-120-92-114(94-124-70-60-82-157(136-40-10,137-41-11)138-42-12)102-107-100(112(88-118-26)90-122-68-58-80-155(130-34-4,131-35-5)132-36-6)108-104(110-102)116(97-127-73-63-85-160(145-49-19,146-50-20)147-51-21)98-128-74-64-86-161(148-52-22,149-53-23)150-54-24/h31-98H2,1-30H3.
What are the key properties of 4-N-[3-[[3-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-[3-[ethoxy(dipropyl)silyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N-tris(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine?
4-N-[3-[[3-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-[3-[ethoxy(dipropyl)silyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N-tris(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 2485.86 g/mol, XLogP of 19.01, 120 rotatable bonds, 0 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-[[3-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]propyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-[3-[ethoxy(dipropyl)silyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N-tris(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 58418637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).