CID 139263659

C12H10CuILi2-2 — CID 139263659

IUPAC—
SMILES[Cu]I.[Li][Li].[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/2C6H5.Cu.HI.2Li/c2*1-2-4-6-5-3-1;;;;/h2*1-5H;;1H;;/q2*-1;+1;;;/p-1
InChIKeyHYQCLVGGHYXCSM-UHFFFAOYSA-M
MW358.54 g/mol
LogP3.10
Rot. Bonds

About CID 139263659

CID 139263659 (PubChem CID 139263659) has the molecular formula C12H10CuILi2-2 and a molecular weight of 358.54 g/mol.

Molecular Properties

Compound NameCID 139263659
PubChem CID139263659
Molecular FormulaC12H10CuILi2-2
Molecular Weight358.54 g/mol
Exact Mass357.95
IUPAC Name—
SMILES[Cu]I.[Li][Li].[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/2C6H5.Cu.HI.2Li/c2*1-2-4-6-5-3-1;;;;/h2*1-5H;;1H;;/q2*-1;+1;;;/p-1
InChIKeyHYQCLVGGHYXCSM-UHFFFAOYSA-M
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.54
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 139263659?
The IUPAC name of CID 139263659 (CID 139263659) is not available.
What is the SMILES notation for CID 139263659?
The canonical SMILES for CID 139263659 is [Cu]I.[Li][Li].[c-]1ccccc1.[c-]1ccccc1.
What is the InChIKey of CID 139263659?
The InChIKey is HYQCLVGGHYXCSM-UHFFFAOYSA-M. The full InChI is InChI=1S/2C6H5.Cu.HI.2Li/c2*1-2-4-6-5-3-1;;;;/h2*1-5H;;1H;;/q2*-1;+1;;;/p-1.
What are the key properties of CID 139263659?
CID 139263659 has a molecular weight of 358.54 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139263659 is sourced from PubChem (CID 139263659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).