4-N-[3-[[2-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine

C101H220N12O37Si10 — CID 89343067

IUPAC4-N-[3-[[2-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCO[Si](CCCOCN(COC)c1nc(N(COCCC[Si](C)(C)O[Si](C)(C)CCOCN(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)OCC
InChIInChI=1S/C101H220N12O37Si10/c1-31-126-153(127-32-2,128-33-3)75-56-65-117-86-108(84-114-25)96-102-98(106-99(103-96)111(90-120-68-59-78-156(135-40-10,136-41-11)137-42-12)91-121-69-60-79-157(138-43-13,139-44-14)140-45-15)110(89-119-67-58-77-155(132-37-7,133-38-8)134-39-9)88-116-64-55-74-151(27,28)150-152(29,30)83-73-125-95-113(94-124-72-63-82-160(147-52-22,148-53-23)149-54-24)101-105-97(109(85-115-26)87-118-66-57-76-154(129-34-4,130-35-5)131-36-6)104-100(107-101)112(92-122-70-61-80-158(141-46-16,142-47-17)143-48-18)93-123-71-62-81-159(144-49-19,145-50-20)146-51-21/h31-95H2,1-30H3
InChIKeyXKMQHYOSJSORIP-UHFFFAOYSA-N
MW2475.78 g/mol
LogP16.87
Rot. Bonds119

About 4-N-[3-[[2-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine

4-N-[3-[[2-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 89343067) has the molecular formula C101H220N12O37Si10 and a molecular weight of 2475.78 g/mol. Its IUPAC name is 4-N-[3-[[2-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[3-[[2-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID89343067
Molecular FormulaC101H220N12O37Si10
Molecular Weight2475.78 g/mol
Exact Mass2473.34
IUPAC Name4-N-[3-[[2-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCO[Si](CCCOCN(COC)c1nc(N(COCCC[Si](C)(C)O[Si](C)(C)CCOCN(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)OCC
InChIInChI=1S/C101H220N12O37Si10/c1-31-126-153(127-32-2,128-33-3)75-56-65-117-86-108(84-114-25)96-102-98(106-99(103-96)111(90-120-68-59-78-156(135-40-10,136-41-11)137-42-12)91-121-69-60-79-157(138-43-13,139-44-14)140-45-15)110(89-119-67-58-77-155(132-37-7,133-38-8)134-39-9)88-116-64-55-74-151(27,28)150-152(29,30)83-73-125-95-113(94-124-72-63-82-160(147-52-22,148-53-23)149-54-24)101-105-97(109(85-115-26)87-118-66-57-76-154(129-34-4,130-35-5)131-36-6)104-100(107-101)112(92-122-70-61-80-158(141-46-16,142-47-17)143-48-18)93-123-71-62-81-159(144-49-19,145-50-20)146-51-21/h31-95H2,1-30H3
InChIKeyXKMQHYOSJSORIP-UHFFFAOYSA-N
XLogP16.87
TPSA438.29 Ų
H-Bond Donors
H-Bond Acceptors49
Rotatable Bonds119
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002475.78
LogP ≤ 516.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1049

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-[[2-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(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-[[2-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-[3-[[2-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine (CID 89343067) is 4-N-[3-[[2-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-[3-[[2-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-[3-[[2-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine is CCO[Si](CCCOCN(COC)c1nc(N(COCCC[Si](C)(C)O[Si](C)(C)CCOCN(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)OCC.
What is the InChIKey of 4-N-[3-[[2-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is XKMQHYOSJSORIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C101H220N12O37Si10/c1-31-126-153(127-32-2,128-33-3)75-56-65-117-86-108(84-114-25)96-102-98(106-99(103-96)111(90-120-68-59-78-156(135-40-10,136-41-11)137-42-12)91-121-69-60-79-157(138-43-13,139-44-14)140-45-15)110(89-119-67-58-77-155(132-37-7,133-38-8)134-39-9)88-116-64-55-74-151(27,28)150-152(29,30)83-73-125-95-113(94-124-72-63-82-160(147-52-22,148-53-23)149-54-24)101-105-97(109(85-115-26)87-118-66-57-76-154(129-34-4,130-35-5)131-36-6)104-100(107-101)112(92-122-70-61-80-158(141-46-16,142-47-17)143-48-18)93-123-71-62-81-159(144-49-19,145-50-20)146-51-21/h31-95H2,1-30H3.
What are the key properties of 4-N-[3-[[2-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine?
4-N-[3-[[2-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 2475.78 g/mol, XLogP of 16.87, 119 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-[[2-[[[4-[bis(3-triethoxysilylpropoxymethyl)amino]-6-[methoxymethyl(3-triethoxysilylpropoxymethyl)amino]-1,3,5-triazin-2-yl]-(3-triethoxysilylpropoxymethyl)amino]methoxy]ethyl-dimethylsilyl]oxy-dimethylsilyl]propoxymethyl]-6-N-(methoxymethyl)-2-N,2-N,4-N,6-N-tetrakis(3-triethoxysilylpropoxymethyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 89343067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).