triethoxy-[4-[(E)-2-[4-[4-[(E)-2-(4-triethoxysilylphenyl)ethenyl]phenyl]phenyl]ethenyl]phenyl]silane

C40H50O6Si2 — CID 44819799

IUPACtriethoxy-[4-[(E)-2-[4-[4-[(E)-2-(4-triethoxysilylphenyl)ethenyl]phenyl]phenyl]ethenyl]phenyl]silane
SMILESCCO[Si](OCC)(OCC)c1ccc(/C=C/c2ccc(-c3ccc(/C=C/c4ccc([Si](OCC)(OCC)OCC)cc4)cc3)cc2)cc1
InChIInChI=1S/C40H50O6Si2/c1-7-41-47(42-8-2,43-9-3)39-29-21-35(22-30-39)15-13-33-17-25-37(26-18-33)38-27-19-34(20-28-38)14-16-36-23-31-40(32-24-36)48(44-10-4,45-11-5)46-12-6/h13-32H,7-12H2,1-6H3/b15-13+,16-14+
InChIKeyAZIPUPDYVQJSCZ-WXUKJITCSA-N
MW683.01 g/mol
LogP8.21
Rot. Bonds19

About triethoxy-[4-[(E)-2-[4-[4-[(E)-2-(4-triethoxysilylphenyl)ethenyl]phenyl]phenyl]ethenyl]phenyl]silane

triethoxy-[4-[(E)-2-[4-[4-[(E)-2-(4-triethoxysilylphenyl)ethenyl]phenyl]phenyl]ethenyl]phenyl]silane (PubChem CID 44819799) has the molecular formula C40H50O6Si2 and a molecular weight of 683.01 g/mol. Its IUPAC name is triethoxy-[4-[(E)-2-[4-[4-[(E)-2-(4-triethoxysilylphenyl)ethenyl]phenyl]phenyl]ethenyl]phenyl]silane.

Molecular Properties

Compound Nametriethoxy-[4-[(E)-2-[4-[4-[(E)-2-(4-triethoxysilylphenyl)ethenyl]phenyl]phenyl]ethenyl]phenyl]silane
PubChem CID44819799
Molecular FormulaC40H50O6Si2
Molecular Weight683.01 g/mol
Exact Mass682.31
IUPAC Nametriethoxy-[4-[(E)-2-[4-[4-[(E)-2-(4-triethoxysilylphenyl)ethenyl]phenyl]phenyl]ethenyl]phenyl]silane
SMILESCCO[Si](OCC)(OCC)c1ccc(/C=C/c2ccc(-c3ccc(/C=C/c4ccc([Si](OCC)(OCC)OCC)cc4)cc3)cc2)cc1
InChIInChI=1S/C40H50O6Si2/c1-7-41-47(42-8-2,43-9-3)39-29-21-35(22-30-39)15-13-33-17-25-37(26-18-33)38-27-19-34(20-28-38)14-16-36-23-31-40(32-24-36)48(44-10-4,45-11-5)46-12-6/h13-32H,7-12H2,1-6H3/b15-13+,16-14+
InChIKeyAZIPUPDYVQJSCZ-WXUKJITCSA-N
XLogP8.21
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.01
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze triethoxy-[4-[(E)-2-[4-[4-[(E)-2-(4-triethoxysilylphenyl)ethenyl]phenyl]phenyl]ethenyl]phenyl]silane 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 triethoxy-[4-[(E)-2-[4-[4-[(E)-2-(4-triethoxysilylphenyl)ethenyl]phenyl]phenyl]ethenyl]phenyl]silane?
The IUPAC name of triethoxy-[4-[(E)-2-[4-[4-[(E)-2-(4-triethoxysilylphenyl)ethenyl]phenyl]phenyl]ethenyl]phenyl]silane (CID 44819799) is triethoxy-[4-[(E)-2-[4-[4-[(E)-2-(4-triethoxysilylphenyl)ethenyl]phenyl]phenyl]ethenyl]phenyl]silane.
What is the SMILES notation for triethoxy-[4-[(E)-2-[4-[4-[(E)-2-(4-triethoxysilylphenyl)ethenyl]phenyl]phenyl]ethenyl]phenyl]silane?
The canonical SMILES for triethoxy-[4-[(E)-2-[4-[4-[(E)-2-(4-triethoxysilylphenyl)ethenyl]phenyl]phenyl]ethenyl]phenyl]silane is CCO[Si](OCC)(OCC)c1ccc(/C=C/c2ccc(-c3ccc(/C=C/c4ccc([Si](OCC)(OCC)OCC)cc4)cc3)cc2)cc1.
What is the InChIKey of triethoxy-[4-[(E)-2-[4-[4-[(E)-2-(4-triethoxysilylphenyl)ethenyl]phenyl]phenyl]ethenyl]phenyl]silane?
The InChIKey is AZIPUPDYVQJSCZ-WXUKJITCSA-N. The full InChI is InChI=1S/C40H50O6Si2/c1-7-41-47(42-8-2,43-9-3)39-29-21-35(22-30-39)15-13-33-17-25-37(26-18-33)38-27-19-34(20-28-38)14-16-36-23-31-40(32-24-36)48(44-10-4,45-11-5)46-12-6/h13-32H,7-12H2,1-6H3/b15-13+,16-14+.
What are the key properties of triethoxy-[4-[(E)-2-[4-[4-[(E)-2-(4-triethoxysilylphenyl)ethenyl]phenyl]phenyl]ethenyl]phenyl]silane?
triethoxy-[4-[(E)-2-[4-[4-[(E)-2-(4-triethoxysilylphenyl)ethenyl]phenyl]phenyl]ethenyl]phenyl]silane has a molecular weight of 683.01 g/mol, XLogP of 8.21, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[4-[(E)-2-[4-[4-[(E)-2-(4-triethoxysilylphenyl)ethenyl]phenyl]phenyl]ethenyl]phenyl]silane is sourced from PubChem (CID 44819799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).