lithium phenyl-[3-(trimethylsilylamino)phenyl]phosphanide

C15H19LiNPSi — CID 16686773

IUPAClithium phenyl-[3-(trimethylsilylamino)phenyl]phosphanide
SMILESC[Si](C)(C)Nc1cccc([P-]c2ccccc2)c1.[Li+]
InChIInChI=1S/C15H19NPSi.Li/c1-18(2,3)16-13-8-7-11-15(12-13)17-14-9-5-4-6-10-14;/h4-12,16H,1-3H3;/q-1;+1
InChIKeyPNCQVMVPLGHMAE-UHFFFAOYSA-N
MW279.32 g/mol
LogP0.83
Rot. Bonds4

About lithium phenyl-[3-(trimethylsilylamino)phenyl]phosphanide

lithium phenyl-[3-(trimethylsilylamino)phenyl]phosphanide (PubChem CID 16686773) has the molecular formula C15H19LiNPSi and a molecular weight of 279.32 g/mol. Its IUPAC name is lithium phenyl-[3-(trimethylsilylamino)phenyl]phosphanide.

Molecular Properties

Compound Namelithium phenyl-[3-(trimethylsilylamino)phenyl]phosphanide
PubChem CID16686773
Molecular FormulaC15H19LiNPSi
Molecular Weight279.32 g/mol
Exact Mass279.12
IUPAC Namelithium phenyl-[3-(trimethylsilylamino)phenyl]phosphanide
SMILESC[Si](C)(C)Nc1cccc([P-]c2ccccc2)c1.[Li+]
InChIInChI=1S/C15H19NPSi.Li/c1-18(2,3)16-13-8-7-11-15(12-13)17-14-9-5-4-6-10-14;/h4-12,16H,1-3H3;/q-1;+1
InChIKeyPNCQVMVPLGHMAE-UHFFFAOYSA-N
XLogP0.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium phenyl-[3-(trimethylsilylamino)phenyl]phosphanide?
The IUPAC name of lithium phenyl-[3-(trimethylsilylamino)phenyl]phosphanide (CID 16686773) is lithium phenyl-[3-(trimethylsilylamino)phenyl]phosphanide.
What is the SMILES notation for lithium phenyl-[3-(trimethylsilylamino)phenyl]phosphanide?
The canonical SMILES for lithium phenyl-[3-(trimethylsilylamino)phenyl]phosphanide is C[Si](C)(C)Nc1cccc([P-]c2ccccc2)c1.[Li+].
What is the InChIKey of lithium phenyl-[3-(trimethylsilylamino)phenyl]phosphanide?
The InChIKey is PNCQVMVPLGHMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NPSi.Li/c1-18(2,3)16-13-8-7-11-15(12-13)17-14-9-5-4-6-10-14;/h4-12,16H,1-3H3;/q-1;+1.
What are the key properties of lithium phenyl-[3-(trimethylsilylamino)phenyl]phosphanide?
lithium phenyl-[3-(trimethylsilylamino)phenyl]phosphanide has a molecular weight of 279.32 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium phenyl-[3-(trimethylsilylamino)phenyl]phosphanide is sourced from PubChem (CID 16686773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).