lithium 9H-anthracen-9-ide

C14H9Li — CID 171375377

IUPAClithium 9H-anthracen-9-ide
SMILESC1=CC=CC2=Cc3ccccc3[CH-]C=12.[Li+]
InChIInChI=1S/C14H9.Li/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;/h1-7,9-10H;/q-1;+1
InChIKeyLOXSHCWXEPXVLI-UHFFFAOYSA-N
MW184.17 g/mol
LogP0.29
Rot. Bonds

About lithium 9H-anthracen-9-ide

lithium 9H-anthracen-9-ide (PubChem CID 171375377) has the molecular formula C14H9Li and a molecular weight of 184.17 g/mol. Its IUPAC name is lithium 9H-anthracen-9-ide.

Molecular Properties

Compound Namelithium 9H-anthracen-9-ide
PubChem CID171375377
Molecular FormulaC14H9Li
Molecular Weight184.17 g/mol
Exact Mass184.09
IUPAC Namelithium 9H-anthracen-9-ide
SMILESC1=CC=CC2=Cc3ccccc3[CH-]C=12.[Li+]
InChIInChI=1S/C14H9.Li/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;/h1-7,9-10H;/q-1;+1
InChIKeyLOXSHCWXEPXVLI-UHFFFAOYSA-N
XLogP0.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 50.29
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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Frequently Asked Questions

What is the IUPAC name of lithium 9H-anthracen-9-ide?
The IUPAC name of lithium 9H-anthracen-9-ide (CID 171375377) is lithium 9H-anthracen-9-ide.
What is the SMILES notation for lithium 9H-anthracen-9-ide?
The canonical SMILES for lithium 9H-anthracen-9-ide is C1=CC=CC2=Cc3ccccc3[CH-]C=12.[Li+].
What is the InChIKey of lithium 9H-anthracen-9-ide?
The InChIKey is LOXSHCWXEPXVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9.Li/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;/h1-7,9-10H;/q-1;+1.
What are the key properties of lithium 9H-anthracen-9-ide?
lithium 9H-anthracen-9-ide has a molecular weight of 184.17 g/mol, XLogP of 0.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 9H-anthracen-9-ide is sourced from PubChem (CID 171375377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).