tetralithium;tetrakis(1,4-diazabicyclo[2.2.2]octane);tetrakis(methanidyl(trimethyl)silane)

C40H92Li4N8Si4 — CID 139107497

IUPACtetralithium;tetrakis(1,4-diazabicyclo[2.2.2]octane);tetrakis(methanidyl(trimethyl)silane)
SMILESC1CN2CCN1CC2.C1CN2CCN1CC2.C1CN2CCN1CC2.C1CN2CCN1CC2.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[Li+].[Li+].[Li+].[Li+]
InChIInChI=1S/4C6H12N2.4C4H11Si.4Li/c4*1-2-8-5-3-7(1)4-6-8;4*1-5(2,3)4;;;;/h4*1-6H2;4*1H2,2-4H3;;;;/q;;;;4*-1;4*+1
InChIKeyCWOJBTUPPXQUMM-UHFFFAOYSA-N
MW825.34 g/mol
LogP-6.72
Rot. Bonds

About tetralithium;tetrakis(1,4-diazabicyclo[2.2.2]octane);tetrakis(methanidyl(trimethyl)silane)

tetralithium;tetrakis(1,4-diazabicyclo[2.2.2]octane);tetrakis(methanidyl(trimethyl)silane) (PubChem CID 139107497) has the molecular formula C40H92Li4N8Si4 and a molecular weight of 825.34 g/mol. Its IUPAC name is tetralithium;tetrakis(1,4-diazabicyclo[2.2.2]octane);tetrakis(methanidyl(trimethyl)silane).

Molecular Properties

Compound Nametetralithium;tetrakis(1,4-diazabicyclo[2.2.2]octane);tetrakis(methanidyl(trimethyl)silane)
PubChem CID139107497
Molecular FormulaC40H92Li4N8Si4
Molecular Weight825.34 g/mol
Exact Mass824.72
IUPAC Nametetralithium;tetrakis(1,4-diazabicyclo[2.2.2]octane);tetrakis(methanidyl(trimethyl)silane)
SMILESC1CN2CCN1CC2.C1CN2CCN1CC2.C1CN2CCN1CC2.C1CN2CCN1CC2.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[Li+].[Li+].[Li+].[Li+]
InChIInChI=1S/4C6H12N2.4C4H11Si.4Li/c4*1-2-8-5-3-7(1)4-6-8;4*1-5(2,3)4;;;;/h4*1-6H2;4*1H2,2-4H3;;;;/q;;;;4*-1;4*+1
InChIKeyCWOJBTUPPXQUMM-UHFFFAOYSA-N
XLogP-6.72
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms56
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500825.34
LogP ≤ 5-6.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetralithium;tetrakis(1,4-diazabicyclo[2.2.2]octane);tetrakis(methanidyl(trimethyl)silane)?
The IUPAC name of tetralithium;tetrakis(1,4-diazabicyclo[2.2.2]octane);tetrakis(methanidyl(trimethyl)silane) (CID 139107497) is tetralithium;tetrakis(1,4-diazabicyclo[2.2.2]octane);tetrakis(methanidyl(trimethyl)silane).
What is the SMILES notation for tetralithium;tetrakis(1,4-diazabicyclo[2.2.2]octane);tetrakis(methanidyl(trimethyl)silane)?
The canonical SMILES for tetralithium;tetrakis(1,4-diazabicyclo[2.2.2]octane);tetrakis(methanidyl(trimethyl)silane) is C1CN2CCN1CC2.C1CN2CCN1CC2.C1CN2CCN1CC2.C1CN2CCN1CC2.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[Li+].[Li+].[Li+].[Li+].
What is the InChIKey of tetralithium;tetrakis(1,4-diazabicyclo[2.2.2]octane);tetrakis(methanidyl(trimethyl)silane)?
The InChIKey is CWOJBTUPPXQUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/4C6H12N2.4C4H11Si.4Li/c4*1-2-8-5-3-7(1)4-6-8;4*1-5(2,3)4;;;;/h4*1-6H2;4*1H2,2-4H3;;;;/q;;;;4*-1;4*+1.
What are the key properties of tetralithium;tetrakis(1,4-diazabicyclo[2.2.2]octane);tetrakis(methanidyl(trimethyl)silane)?
tetralithium;tetrakis(1,4-diazabicyclo[2.2.2]octane);tetrakis(methanidyl(trimethyl)silane) has a molecular weight of 825.34 g/mol, XLogP of -6.72, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetralithium;tetrakis(1,4-diazabicyclo[2.2.2]octane);tetrakis(methanidyl(trimethyl)silane) is sourced from PubChem (CID 139107497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).