lithium;diphenylphosphanyl-(2,4,6-trimethylphenyl)azanide;ethoxyethane

C29H41LiNO2P — CID 139189289

IUPAClithium;diphenylphosphanyl-(2,4,6-trimethylphenyl)azanide;ethoxyethane
SMILESCCOCC.CCOCC.Cc1cc(C)c([N-]P(c2ccccc2)c2ccccc2)c(C)c1.[Li+]
InChIInChI=1S/C21H21NP.2C4H10O.Li/c1-16-14-17(2)21(18(3)15-16)22-23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;2*1-3-5-4-2;/h4-15H,1-3H3;2*3-4H2,1-2H3;/q-1;;;+1
InChIKeyNLAYBORTTPUXDM-UHFFFAOYSA-N
MW473.57 g/mol
LogP4.75
Rot. Bonds8

About lithium;diphenylphosphanyl-(2,4,6-trimethylphenyl)azanide;ethoxyethane

lithium;diphenylphosphanyl-(2,4,6-trimethylphenyl)azanide;ethoxyethane (PubChem CID 139189289) has the molecular formula C29H41LiNO2P and a molecular weight of 473.57 g/mol. Its IUPAC name is lithium;diphenylphosphanyl-(2,4,6-trimethylphenyl)azanide;ethoxyethane.

Molecular Properties

Compound Namelithium;diphenylphosphanyl-(2,4,6-trimethylphenyl)azanide;ethoxyethane
PubChem CID139189289
Molecular FormulaC29H41LiNO2P
Molecular Weight473.57 g/mol
Exact Mass473.30
IUPAC Namelithium;diphenylphosphanyl-(2,4,6-trimethylphenyl)azanide;ethoxyethane
SMILESCCOCC.CCOCC.Cc1cc(C)c([N-]P(c2ccccc2)c2ccccc2)c(C)c1.[Li+]
InChIInChI=1S/C21H21NP.2C4H10O.Li/c1-16-14-17(2)21(18(3)15-16)22-23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;2*1-3-5-4-2;/h4-15H,1-3H3;2*3-4H2,1-2H3;/q-1;;;+1
InChIKeyNLAYBORTTPUXDM-UHFFFAOYSA-N
XLogP4.75
TPSA32.56 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium;diphenylphosphanyl-(2,4,6-trimethylphenyl)azanide;ethoxyethane?
The IUPAC name of lithium;diphenylphosphanyl-(2,4,6-trimethylphenyl)azanide;ethoxyethane (CID 139189289) is lithium;diphenylphosphanyl-(2,4,6-trimethylphenyl)azanide;ethoxyethane.
What is the SMILES notation for lithium;diphenylphosphanyl-(2,4,6-trimethylphenyl)azanide;ethoxyethane?
The canonical SMILES for lithium;diphenylphosphanyl-(2,4,6-trimethylphenyl)azanide;ethoxyethane is CCOCC.CCOCC.Cc1cc(C)c([N-]P(c2ccccc2)c2ccccc2)c(C)c1.[Li+].
What is the InChIKey of lithium;diphenylphosphanyl-(2,4,6-trimethylphenyl)azanide;ethoxyethane?
The InChIKey is NLAYBORTTPUXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NP.2C4H10O.Li/c1-16-14-17(2)21(18(3)15-16)22-23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;2*1-3-5-4-2;/h4-15H,1-3H3;2*3-4H2,1-2H3;/q-1;;;+1.
What are the key properties of lithium;diphenylphosphanyl-(2,4,6-trimethylphenyl)azanide;ethoxyethane?
lithium;diphenylphosphanyl-(2,4,6-trimethylphenyl)azanide;ethoxyethane has a molecular weight of 473.57 g/mol, XLogP of 4.75, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;diphenylphosphanyl-(2,4,6-trimethylphenyl)azanide;ethoxyethane is sourced from PubChem (CID 139189289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).