CID 140931494

C32H23OSi — CID 140931494

IUPAC—
SMILES[Si]OCC(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C32H23OSi/c34-33-22-32(29-16-13-23-7-1-4-10-26(23)19-29,30-17-14-24-8-2-5-11-27(24)20-30)31-18-15-25-9-3-6-12-28(25)21-31/h1-21H,22H2
InChIKeyFCSLVIASDBDYBM-UHFFFAOYSA-N
MW451.62 g/mol
LogP7.58
Rot. Bonds5

About CID 140931494

CID 140931494 (PubChem CID 140931494) has the molecular formula C32H23OSi and a molecular weight of 451.62 g/mol.

Molecular Properties

Compound NameCID 140931494
PubChem CID140931494
Molecular FormulaC32H23OSi
Molecular Weight451.62 g/mol
Exact Mass451.15
IUPAC Name—
SMILES[Si]OCC(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)c1ccc2ccccc2c1
InChIInChI=1S/C32H23OSi/c34-33-22-32(29-16-13-23-7-1-4-10-26(23)19-29,30-17-14-24-8-2-5-11-27(24)20-30)31-18-15-25-9-3-6-12-28(25)21-31/h1-21H,22H2
InChIKeyFCSLVIASDBDYBM-UHFFFAOYSA-N
XLogP7.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.62
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze CID 140931494 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 140931494?
The IUPAC name of CID 140931494 (CID 140931494) is not available.
What is the SMILES notation for CID 140931494?
The canonical SMILES for CID 140931494 is [Si]OCC(c1ccc2ccccc2c1)(c1ccc2ccccc2c1)c1ccc2ccccc2c1.
What is the InChIKey of CID 140931494?
The InChIKey is FCSLVIASDBDYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23OSi/c34-33-22-32(29-16-13-23-7-1-4-10-26(23)19-29,30-17-14-24-8-2-5-11-27(24)20-30)31-18-15-25-9-3-6-12-28(25)21-31/h1-21H,22H2.
What are the key properties of CID 140931494?
CID 140931494 has a molecular weight of 451.62 g/mol, XLogP of 7.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140931494 is sourced from PubChem (CID 140931494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).