CID 13240527

C30H32Li2Sn2 — CID 13240527

IUPAC—
SMILES[Li].[Li].c1ccc([Sn](CCCCCC[Sn](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C6H5.C6H12.2Li.2Sn/c4*1-2-4-6-5-3-1;1-3-5-6-4-2;;;;/h4*1-5H;1-6H2;;;;
InChIKeyULWQGAHIJKZDJC-UHFFFAOYSA-N
MW643.89 g/mol
LogP4.40
Rot. Bonds11

About CID 13240527

CID 13240527 (PubChem CID 13240527) has the molecular formula C30H32Li2Sn2 and a molecular weight of 643.89 g/mol.

Molecular Properties

Compound NameCID 13240527
PubChem CID13240527
Molecular FormulaC30H32Li2Sn2
Molecular Weight643.89 g/mol
Exact Mass646.09
IUPAC Name—
SMILES[Li].[Li].c1ccc([Sn](CCCCCC[Sn](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/4C6H5.C6H12.2Li.2Sn/c4*1-2-4-6-5-3-1;1-3-5-6-4-2;;;;/h4*1-5H;1-6H2;;;;
InChIKeyULWQGAHIJKZDJC-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500643.89
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 13240527 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 13240527?
The IUPAC name of CID 13240527 (CID 13240527) is not available.
What is the SMILES notation for CID 13240527?
The canonical SMILES for CID 13240527 is [Li].[Li].c1ccc([Sn](CCCCCC[Sn](c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of CID 13240527?
The InChIKey is ULWQGAHIJKZDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/4C6H5.C6H12.2Li.2Sn/c4*1-2-4-6-5-3-1;1-3-5-6-4-2;;;;/h4*1-5H;1-6H2;;;;.
What are the key properties of CID 13240527?
CID 13240527 has a molecular weight of 643.89 g/mol, XLogP of 4.40, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 13240527 is sourced from PubChem (CID 13240527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).