3-[5-[3-[bis(3-trimethoxysilylpropyl)amino]propoxy]naphthalen-1-yl]oxy-N,N-bis(3-trimethoxysilylpropyl)propan-1-amine

C40H78N2O14Si4 — CID 171816947

IUPAC3-[5-[3-[bis(3-trimethoxysilylpropyl)amino]propoxy]naphthalen-1-yl]oxy-N,N-bis(3-trimethoxysilylpropyl)propan-1-amine
SMILESCO[Si](CCCN(CCCOc1cccc2c(OCCCN(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)cccc12)CCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C40H78N2O14Si4/c1-43-57(44-2,45-3)33-17-27-41(28-18-34-58(46-4,47-5)48-6)25-15-31-55-39-23-13-22-38-37(39)21-14-24-40(38)56-32-16-26-42(29-19-35-59(49-7,50-8)51-9)30-20-36-60(52-10,53-11)54-12/h13-14,21-24H,15-20,25-36H2,1-12H3
InChIKeyFXPQIFUITHJZSX-UHFFFAOYSA-N
MW923.41 g/mol
LogP6.05
Rot. Bonds38

About 3-[5-[3-[bis(3-trimethoxysilylpropyl)amino]propoxy]naphthalen-1-yl]oxy-N,N-bis(3-trimethoxysilylpropyl)propan-1-amine

3-[5-[3-[bis(3-trimethoxysilylpropyl)amino]propoxy]naphthalen-1-yl]oxy-N,N-bis(3-trimethoxysilylpropyl)propan-1-amine (PubChem CID 171816947) has the molecular formula C40H78N2O14Si4 and a molecular weight of 923.41 g/mol. Its IUPAC name is 3-[5-[3-[bis(3-trimethoxysilylpropyl)amino]propoxy]naphthalen-1-yl]oxy-N,N-bis(3-trimethoxysilylpropyl)propan-1-amine.

Molecular Properties

Compound Name3-[5-[3-[bis(3-trimethoxysilylpropyl)amino]propoxy]naphthalen-1-yl]oxy-N,N-bis(3-trimethoxysilylpropyl)propan-1-amine
PubChem CID171816947
Molecular FormulaC40H78N2O14Si4
Molecular Weight923.41 g/mol
Exact Mass922.45
IUPAC Name3-[5-[3-[bis(3-trimethoxysilylpropyl)amino]propoxy]naphthalen-1-yl]oxy-N,N-bis(3-trimethoxysilylpropyl)propan-1-amine
SMILESCO[Si](CCCN(CCCOc1cccc2c(OCCCN(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)cccc12)CCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C40H78N2O14Si4/c1-43-57(44-2,45-3)33-17-27-41(28-18-34-58(46-4,47-5)48-6)25-15-31-55-39-23-13-22-38-37(39)21-14-24-40(38)56-32-16-26-42(29-19-35-59(49-7,50-8)51-9)30-20-36-60(52-10,53-11)54-12/h13-14,21-24H,15-20,25-36H2,1-12H3
InChIKeyFXPQIFUITHJZSX-UHFFFAOYSA-N
XLogP6.05
TPSA135.70 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds38
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500923.41
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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 3-[5-[3-[bis(3-trimethoxysilylpropyl)amino]propoxy]naphthalen-1-yl]oxy-N,N-bis(3-trimethoxysilylpropyl)propan-1-amine?
The IUPAC name of 3-[5-[3-[bis(3-trimethoxysilylpropyl)amino]propoxy]naphthalen-1-yl]oxy-N,N-bis(3-trimethoxysilylpropyl)propan-1-amine (CID 171816947) is 3-[5-[3-[bis(3-trimethoxysilylpropyl)amino]propoxy]naphthalen-1-yl]oxy-N,N-bis(3-trimethoxysilylpropyl)propan-1-amine.
What is the SMILES notation for 3-[5-[3-[bis(3-trimethoxysilylpropyl)amino]propoxy]naphthalen-1-yl]oxy-N,N-bis(3-trimethoxysilylpropyl)propan-1-amine?
The canonical SMILES for 3-[5-[3-[bis(3-trimethoxysilylpropyl)amino]propoxy]naphthalen-1-yl]oxy-N,N-bis(3-trimethoxysilylpropyl)propan-1-amine is CO[Si](CCCN(CCCOc1cccc2c(OCCCN(CCC[Si](OC)(OC)OC)CCC[Si](OC)(OC)OC)cccc12)CCC[Si](OC)(OC)OC)(OC)OC.
What is the InChIKey of 3-[5-[3-[bis(3-trimethoxysilylpropyl)amino]propoxy]naphthalen-1-yl]oxy-N,N-bis(3-trimethoxysilylpropyl)propan-1-amine?
The InChIKey is FXPQIFUITHJZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H78N2O14Si4/c1-43-57(44-2,45-3)33-17-27-41(28-18-34-58(46-4,47-5)48-6)25-15-31-55-39-23-13-22-38-37(39)21-14-24-40(38)56-32-16-26-42(29-19-35-59(49-7,50-8)51-9)30-20-36-60(52-10,53-11)54-12/h13-14,21-24H,15-20,25-36H2,1-12H3.
What are the key properties of 3-[5-[3-[bis(3-trimethoxysilylpropyl)amino]propoxy]naphthalen-1-yl]oxy-N,N-bis(3-trimethoxysilylpropyl)propan-1-amine?
3-[5-[3-[bis(3-trimethoxysilylpropyl)amino]propoxy]naphthalen-1-yl]oxy-N,N-bis(3-trimethoxysilylpropyl)propan-1-amine has a molecular weight of 923.41 g/mol, XLogP of 6.05, 38 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[3-[bis(3-trimethoxysilylpropyl)amino]propoxy]naphthalen-1-yl]oxy-N,N-bis(3-trimethoxysilylpropyl)propan-1-amine is sourced from PubChem (CID 171816947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).