triethoxy-[4-(4-phenylphenyl)phenyl]silane

C24H28O3Si — CID 59687607

IUPACtriethoxy-[4-(4-phenylphenyl)phenyl]silane
SMILESCCO[Si](OCC)(OCC)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H28O3Si/c1-4-25-28(26-5-2,27-6-3)24-18-16-23(17-19-24)22-14-12-21(13-15-22)20-10-8-7-9-11-20/h7-19H,4-6H2,1-3H3
InChIKeyNAGYCPMDUJKCBB-UHFFFAOYSA-N
MW392.57 g/mol
LogP5.28
Rot. Bonds9

About triethoxy-[4-(4-phenylphenyl)phenyl]silane

triethoxy-[4-(4-phenylphenyl)phenyl]silane (PubChem CID 59687607) has the molecular formula C24H28O3Si and a molecular weight of 392.57 g/mol. Its IUPAC name is triethoxy-[4-(4-phenylphenyl)phenyl]silane.

Molecular Properties

Compound Nametriethoxy-[4-(4-phenylphenyl)phenyl]silane
PubChem CID59687607
Molecular FormulaC24H28O3Si
Molecular Weight392.57 g/mol
Exact Mass392.18
IUPAC Nametriethoxy-[4-(4-phenylphenyl)phenyl]silane
SMILESCCO[Si](OCC)(OCC)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C24H28O3Si/c1-4-25-28(26-5-2,27-6-3)24-18-16-23(17-19-24)22-14-12-21(13-15-22)20-10-8-7-9-11-20/h7-19H,4-6H2,1-3H3
InChIKeyNAGYCPMDUJKCBB-UHFFFAOYSA-N
XLogP5.28
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.57
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triethoxy-[4-(4-phenylphenyl)phenyl]silane?
The IUPAC name of triethoxy-[4-(4-phenylphenyl)phenyl]silane (CID 59687607) is triethoxy-[4-(4-phenylphenyl)phenyl]silane.
What is the SMILES notation for triethoxy-[4-(4-phenylphenyl)phenyl]silane?
The canonical SMILES for triethoxy-[4-(4-phenylphenyl)phenyl]silane is CCO[Si](OCC)(OCC)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of triethoxy-[4-(4-phenylphenyl)phenyl]silane?
The InChIKey is NAGYCPMDUJKCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O3Si/c1-4-25-28(26-5-2,27-6-3)24-18-16-23(17-19-24)22-14-12-21(13-15-22)20-10-8-7-9-11-20/h7-19H,4-6H2,1-3H3.
What are the key properties of triethoxy-[4-(4-phenylphenyl)phenyl]silane?
triethoxy-[4-(4-phenylphenyl)phenyl]silane has a molecular weight of 392.57 g/mol, XLogP of 5.28, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethoxy-[4-(4-phenylphenyl)phenyl]silane is sourced from PubChem (CID 59687607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).