trihydroxy-[4-[2-[4-[2-(4-trihydroxysilylphenyl)ethynyl]phenyl]ethynyl]phenyl]silane

C22H18O6Si2 — CID 101167679

IUPACtrihydroxy-[4-[2-[4-[2-(4-trihydroxysilylphenyl)ethynyl]phenyl]ethynyl]phenyl]silane
SMILESO[Si](O)(O)c1ccc(C#Cc2ccc(C#Cc3ccc([Si](O)(O)O)cc3)cc2)cc1
InChIInChI=1S/C22H18O6Si2/c23-29(24,25)21-13-9-19(10-14-21)7-5-17-1-2-18(4-3-17)6-8-20-11-15-22(16-12-20)30(26,27)28/h1-4,9-16,23-28H
InChIKeyNQYCOKFOKIHWPV-UHFFFAOYSA-N
MW434.55 g/mol
LogP-1.27
Rot. Bonds2

About trihydroxy-[4-[2-[4-[2-(4-trihydroxysilylphenyl)ethynyl]phenyl]ethynyl]phenyl]silane

trihydroxy-[4-[2-[4-[2-(4-trihydroxysilylphenyl)ethynyl]phenyl]ethynyl]phenyl]silane (PubChem CID 101167679) has the molecular formula C22H18O6Si2 and a molecular weight of 434.55 g/mol. Its IUPAC name is trihydroxy-[4-[2-[4-[2-(4-trihydroxysilylphenyl)ethynyl]phenyl]ethynyl]phenyl]silane.

Molecular Properties

Compound Nametrihydroxy-[4-[2-[4-[2-(4-trihydroxysilylphenyl)ethynyl]phenyl]ethynyl]phenyl]silane
PubChem CID101167679
Molecular FormulaC22H18O6Si2
Molecular Weight434.55 g/mol
Exact Mass434.06
IUPAC Nametrihydroxy-[4-[2-[4-[2-(4-trihydroxysilylphenyl)ethynyl]phenyl]ethynyl]phenyl]silane
SMILESO[Si](O)(O)c1ccc(C#Cc2ccc(C#Cc3ccc([Si](O)(O)O)cc3)cc2)cc1
InChIInChI=1S/C22H18O6Si2/c23-29(24,25)21-13-9-19(10-14-21)7-5-17-1-2-18(4-3-17)6-8-20-11-15-22(16-12-20)30(26,27)28/h1-4,9-16,23-28H
InChIKeyNQYCOKFOKIHWPV-UHFFFAOYSA-N
XLogP-1.27
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.55
LogP ≤ 5-1.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trihydroxy-[4-[2-[4-[2-(4-trihydroxysilylphenyl)ethynyl]phenyl]ethynyl]phenyl]silane?
The IUPAC name of trihydroxy-[4-[2-[4-[2-(4-trihydroxysilylphenyl)ethynyl]phenyl]ethynyl]phenyl]silane (CID 101167679) is trihydroxy-[4-[2-[4-[2-(4-trihydroxysilylphenyl)ethynyl]phenyl]ethynyl]phenyl]silane.
What is the SMILES notation for trihydroxy-[4-[2-[4-[2-(4-trihydroxysilylphenyl)ethynyl]phenyl]ethynyl]phenyl]silane?
The canonical SMILES for trihydroxy-[4-[2-[4-[2-(4-trihydroxysilylphenyl)ethynyl]phenyl]ethynyl]phenyl]silane is O[Si](O)(O)c1ccc(C#Cc2ccc(C#Cc3ccc([Si](O)(O)O)cc3)cc2)cc1.
What is the InChIKey of trihydroxy-[4-[2-[4-[2-(4-trihydroxysilylphenyl)ethynyl]phenyl]ethynyl]phenyl]silane?
The InChIKey is NQYCOKFOKIHWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O6Si2/c23-29(24,25)21-13-9-19(10-14-21)7-5-17-1-2-18(4-3-17)6-8-20-11-15-22(16-12-20)30(26,27)28/h1-4,9-16,23-28H.
What are the key properties of trihydroxy-[4-[2-[4-[2-(4-trihydroxysilylphenyl)ethynyl]phenyl]ethynyl]phenyl]silane?
trihydroxy-[4-[2-[4-[2-(4-trihydroxysilylphenyl)ethynyl]phenyl]ethynyl]phenyl]silane has a molecular weight of 434.55 g/mol, XLogP of -1.27, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-[4-[2-[4-[2-(4-trihydroxysilylphenyl)ethynyl]phenyl]ethynyl]phenyl]silane is sourced from PubChem (CID 101167679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).