dilithium;phenylbenzene

C12H8Li2 — CID 12532846

IUPACdilithium;phenylbenzene
SMILES[Li+].[Li+].[c-]1ccccc1-c1[c-]cccc1
InChIInChI=1S/C12H8.2Li/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;;/h1-7,9H;;/q-2;2*+1
InChIKeyOOSSJAMPYPNKRF-UHFFFAOYSA-N
MW166.08 g/mol
LogP-3.04
Rot. Bonds1

About dilithium;phenylbenzene

dilithium;phenylbenzene (PubChem CID 12532846) has the molecular formula C12H8Li2 and a molecular weight of 166.08 g/mol. Its IUPAC name is dilithium;phenylbenzene.

Molecular Properties

Compound Namedilithium;phenylbenzene
PubChem CID12532846
Molecular FormulaC12H8Li2
Molecular Weight166.08 g/mol
Exact Mass166.09
IUPAC Namedilithium;phenylbenzene
SMILES[Li+].[Li+].[c-]1ccccc1-c1[c-]cccc1
InChIInChI=1S/C12H8.2Li/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;;/h1-7,9H;;/q-2;2*+1
InChIKeyOOSSJAMPYPNKRF-UHFFFAOYSA-N
XLogP-3.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.08
LogP ≤ 5-3.04
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 dilithium;phenylbenzene?
The IUPAC name of dilithium;phenylbenzene (CID 12532846) is dilithium;phenylbenzene.
What is the SMILES notation for dilithium;phenylbenzene?
The canonical SMILES for dilithium;phenylbenzene is [Li+].[Li+].[c-]1ccccc1-c1[c-]cccc1.
What is the InChIKey of dilithium;phenylbenzene?
The InChIKey is OOSSJAMPYPNKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8.2Li/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;;/h1-7,9H;;/q-2;2*+1.
What are the key properties of dilithium;phenylbenzene?
dilithium;phenylbenzene has a molecular weight of 166.08 g/mol, XLogP of -3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;phenylbenzene is sourced from PubChem (CID 12532846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).