lithium N-[bis(trimethylsilyl)methyl]-2,2-diphenylethenimine

C21H28LiNSi2 — CID 23670629

IUPAClithium N-[bis(trimethylsilyl)methyl]-2,2-diphenylethenimine
SMILESC[Si](C)(C)[C-](N=C=C(c1ccccc1)c1ccccc1)[Si](C)(C)C.[Li+]
InChIInChI=1S/C21H28NSi2.Li/c1-23(2,3)21(24(4,5)6)22-17-20(18-13-9-7-10-14-18)19-15-11-8-12-16-19;/h7-16H,1-6H3;/q-1;+1
InChIKeyPHISNSHLKOTBFK-UHFFFAOYSA-N
MW357.57 g/mol
LogP3.08
Rot. Bonds5

About lithium N-[bis(trimethylsilyl)methyl]-2,2-diphenylethenimine

lithium N-[bis(trimethylsilyl)methyl]-2,2-diphenylethenimine (PubChem CID 23670629) has the molecular formula C21H28LiNSi2 and a molecular weight of 357.57 g/mol. Its IUPAC name is lithium N-[bis(trimethylsilyl)methyl]-2,2-diphenylethenimine.

Molecular Properties

Compound Namelithium N-[bis(trimethylsilyl)methyl]-2,2-diphenylethenimine
PubChem CID23670629
Molecular FormulaC21H28LiNSi2
Molecular Weight357.57 g/mol
Exact Mass357.19
IUPAC Namelithium N-[bis(trimethylsilyl)methyl]-2,2-diphenylethenimine
SMILESC[Si](C)(C)[C-](N=C=C(c1ccccc1)c1ccccc1)[Si](C)(C)C.[Li+]
InChIInChI=1S/C21H28NSi2.Li/c1-23(2,3)21(24(4,5)6)22-17-20(18-13-9-7-10-14-18)19-15-11-8-12-16-19;/h7-16H,1-6H3;/q-1;+1
InChIKeyPHISNSHLKOTBFK-UHFFFAOYSA-N
XLogP3.08
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.57
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium N-[bis(trimethylsilyl)methyl]-2,2-diphenylethenimine?
The IUPAC name of lithium N-[bis(trimethylsilyl)methyl]-2,2-diphenylethenimine (CID 23670629) is lithium N-[bis(trimethylsilyl)methyl]-2,2-diphenylethenimine.
What is the SMILES notation for lithium N-[bis(trimethylsilyl)methyl]-2,2-diphenylethenimine?
The canonical SMILES for lithium N-[bis(trimethylsilyl)methyl]-2,2-diphenylethenimine is C[Si](C)(C)[C-](N=C=C(c1ccccc1)c1ccccc1)[Si](C)(C)C.[Li+].
What is the InChIKey of lithium N-[bis(trimethylsilyl)methyl]-2,2-diphenylethenimine?
The InChIKey is PHISNSHLKOTBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28NSi2.Li/c1-23(2,3)21(24(4,5)6)22-17-20(18-13-9-7-10-14-18)19-15-11-8-12-16-19;/h7-16H,1-6H3;/q-1;+1.
What are the key properties of lithium N-[bis(trimethylsilyl)methyl]-2,2-diphenylethenimine?
lithium N-[bis(trimethylsilyl)methyl]-2,2-diphenylethenimine has a molecular weight of 357.57 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N-[bis(trimethylsilyl)methyl]-2,2-diphenylethenimine is sourced from PubChem (CID 23670629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).