lithium butyl(triphenyl)boranuide

C22H24BLi — CID 23668465

IUPAClithium butyl(triphenyl)boranuide
SMILESCCCC[B-](c1ccccc1)(c1ccccc1)c1ccccc1.[Li+]
InChIInChI=1S/C22H24B.Li/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18H,2-3,19H2,1H3;/q-1;+1
InChIKeyPYRIYEMXSGTSBC-UHFFFAOYSA-N
MW306.19 g/mol
LogP0.96
Rot. Bonds6

About lithium butyl(triphenyl)boranuide

lithium butyl(triphenyl)boranuide (PubChem CID 23668465) has the molecular formula C22H24BLi and a molecular weight of 306.19 g/mol. Its IUPAC name is lithium butyl(triphenyl)boranuide.

Molecular Properties

Compound Namelithium butyl(triphenyl)boranuide
PubChem CID23668465
Molecular FormulaC22H24BLi
Molecular Weight306.19 g/mol
Exact Mass306.21
IUPAC Namelithium butyl(triphenyl)boranuide
SMILESCCCC[B-](c1ccccc1)(c1ccccc1)c1ccccc1.[Li+]
InChIInChI=1S/C22H24B.Li/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18H,2-3,19H2,1H3;/q-1;+1
InChIKeyPYRIYEMXSGTSBC-UHFFFAOYSA-N
XLogP0.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

butyl(triphenyl)boranuide;diphenyliodanium
CID 10962913
butyl(triphenyl)boranuide;trifluoromethanesulfonic acid
CID 171925808
benzyl(dimethyl)sulfanium;butyl(triphenyl)boranuide
CID 18982460
butyl(triphenyl)boranuide;2-hydroxyethyl(dimethyl)azanium
CID 140843246
butyl(triphenyl)boranuide;ethoxy-methyl-phenylsulfanium
CID 19047913
butyl-tris(4-methylphenyl)boranuide
CID 18400281
butyl-phenoxy-phenylsulfanium;butyl(triphenyl)boranuide
CID 19047905
(3-fluorophenyl)-hexyl-diphenylboranuide
CID 176748764
lithium butyl-tris(4-methoxyphenyl)boranuide
CID 139652579
butyl-tris(3-methylphenyl)boranuide
CID 139835830
magnesium bis(butyl(trinaphthalen-2-yl)boranuide)
CID 19598559
(2-butanoylphenyl)-butyl-diphenylboranuide
CID 140843248

Frequently Asked Questions

What is the IUPAC name of lithium butyl(triphenyl)boranuide?
The IUPAC name of lithium butyl(triphenyl)boranuide (CID 23668465) is lithium butyl(triphenyl)boranuide.
What is the SMILES notation for lithium butyl(triphenyl)boranuide?
The canonical SMILES for lithium butyl(triphenyl)boranuide is CCCC[B-](c1ccccc1)(c1ccccc1)c1ccccc1.[Li+].
What is the InChIKey of lithium butyl(triphenyl)boranuide?
The InChIKey is PYRIYEMXSGTSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24B.Li/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18H,2-3,19H2,1H3;/q-1;+1.
What are the key properties of lithium butyl(triphenyl)boranuide?
lithium butyl(triphenyl)boranuide has a molecular weight of 306.19 g/mol, XLogP of 0.96, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium butyl(triphenyl)boranuide is sourced from PubChem (CID 23668465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).