bis[4-(4-chlorophenyl)azulen-1-yl]-dimethoxysilane

C34H26Cl2O2Si — CID 139893940

IUPACbis[4-(4-chlorophenyl)azulen-1-yl]-dimethoxysilane
SMILESCO[Si](OC)(c1ccc2c(-c3ccc(Cl)cc3)ccccc1-2)c1ccc2c(-c3ccc(Cl)cc3)ccccc1-2
InChIInChI=1S/C34H26Cl2O2Si/c1-37-39(38-2,33-21-19-29-27(7-3-5-9-31(29)33)23-11-15-25(35)16-12-23)34-22-20-30-28(8-4-6-10-32(30)34)24-13-17-26(36)18-14-24/h3-22H,1-2H3
InChIKeyJHDNUVAOSTVZEZ-UHFFFAOYSA-N
MW565.57 g/mol
LogP8.39
Rot. Bonds6

About bis[4-(4-chlorophenyl)azulen-1-yl]-dimethoxysilane

bis[4-(4-chlorophenyl)azulen-1-yl]-dimethoxysilane (PubChem CID 139893940) has the molecular formula C34H26Cl2O2Si and a molecular weight of 565.57 g/mol. Its IUPAC name is bis[4-(4-chlorophenyl)azulen-1-yl]-dimethoxysilane.

Molecular Properties

Compound Namebis[4-(4-chlorophenyl)azulen-1-yl]-dimethoxysilane
PubChem CID139893940
Molecular FormulaC34H26Cl2O2Si
Molecular Weight565.57 g/mol
Exact Mass564.11
IUPAC Namebis[4-(4-chlorophenyl)azulen-1-yl]-dimethoxysilane
SMILESCO[Si](OC)(c1ccc2c(-c3ccc(Cl)cc3)ccccc1-2)c1ccc2c(-c3ccc(Cl)cc3)ccccc1-2
InChIInChI=1S/C34H26Cl2O2Si/c1-37-39(38-2,33-21-19-29-27(7-3-5-9-31(29)33)23-11-15-25(35)16-12-23)34-22-20-30-28(8-4-6-10-32(30)34)24-13-17-26(36)18-14-24/h3-22H,1-2H3
InChIKeyJHDNUVAOSTVZEZ-UHFFFAOYSA-N
XLogP8.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.57
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze bis[4-(4-chlorophenyl)azulen-1-yl]-dimethoxysilane 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 bis[4-(4-chlorophenyl)azulen-1-yl]-dimethoxysilane?
The IUPAC name of bis[4-(4-chlorophenyl)azulen-1-yl]-dimethoxysilane (CID 139893940) is bis[4-(4-chlorophenyl)azulen-1-yl]-dimethoxysilane.
What is the SMILES notation for bis[4-(4-chlorophenyl)azulen-1-yl]-dimethoxysilane?
The canonical SMILES for bis[4-(4-chlorophenyl)azulen-1-yl]-dimethoxysilane is CO[Si](OC)(c1ccc2c(-c3ccc(Cl)cc3)ccccc1-2)c1ccc2c(-c3ccc(Cl)cc3)ccccc1-2.
What is the InChIKey of bis[4-(4-chlorophenyl)azulen-1-yl]-dimethoxysilane?
The InChIKey is JHDNUVAOSTVZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26Cl2O2Si/c1-37-39(38-2,33-21-19-29-27(7-3-5-9-31(29)33)23-11-15-25(35)16-12-23)34-22-20-30-28(8-4-6-10-32(30)34)24-13-17-26(36)18-14-24/h3-22H,1-2H3.
What are the key properties of bis[4-(4-chlorophenyl)azulen-1-yl]-dimethoxysilane?
bis[4-(4-chlorophenyl)azulen-1-yl]-dimethoxysilane has a molecular weight of 565.57 g/mol, XLogP of 8.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(4-chlorophenyl)azulen-1-yl]-dimethoxysilane is sourced from PubChem (CID 139893940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).