lithium benzene

C6H5Li — CID 637932

IUPAClithium benzene
SMILES[Li+].[c-]1ccccc1
InChIInChI=1S/C6H5.Li/c1-2-4-6-5-3-1;/h1-5H;/q-1;+1
InChIKeyDBYQHFPBWKKZAT-UHFFFAOYSA-N
MW84.05 g/mol
LogP-1.51
Rot. Bonds

About lithium benzene

lithium benzene (PubChem CID 637932) has the molecular formula C6H5Li and a molecular weight of 84.05 g/mol. Its IUPAC name is lithium benzene.

Molecular Properties

Compound Namelithium benzene
PubChem CID637932
Molecular FormulaC6H5Li
Molecular Weight84.05 g/mol
Exact Mass84.06
IUPAC Namelithium benzene
SMILES[Li+].[c-]1ccccc1
InChIInChI=1S/C6H5.Li/c1-2-4-6-5-3-1;/h1-5H;/q-1;+1
InChIKeyDBYQHFPBWKKZAT-UHFFFAOYSA-N
XLogP-1.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.05
LogP ≤ 5-1.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Phenylmagnesium bromide
CID 66852
Phenylmagnesium chloride
CID 7513
Phenylzinc iodide
CID 4117658
Phenylzinc bromide
CID 11138729
CID 5150480
CID 5150480
Germin
CID 20056561
Zinc, bromophenyl-
CID 15973602
PhZnBr
CID 16213817
Benzene;tin(4+)
CID 154734477
Bismin
CID 136133
Antimonin
CID 136137
Stannin
CID 6335902

Frequently Asked Questions

What is the IUPAC name of lithium benzene?
The IUPAC name of lithium benzene (CID 637932) is lithium benzene.
What is the SMILES notation for lithium benzene?
The canonical SMILES for lithium benzene is [Li+].[c-]1ccccc1.
What is the InChIKey of lithium benzene?
The InChIKey is DBYQHFPBWKKZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5.Li/c1-2-4-6-5-3-1;/h1-5H;/q-1;+1.
What are the key properties of lithium benzene?
lithium benzene has a molecular weight of 84.05 g/mol, XLogP of -1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium benzene is sourced from PubChem (CID 637932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).