4-[(4-carboxyphenyl)-diphenylsilyl]benzoic acid

C26H20O4Si — CID 13249356

IUPAC4-[(4-carboxyphenyl)-diphenylsilyl]benzoic acid
SMILESO=C(O)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C26H20O4Si/c27-25(28)19-11-15-23(16-12-19)31(21-7-3-1-4-8-21,22-9-5-2-6-10-22)24-17-13-20(14-18-24)26(29)30/h1-18H,(H,27,28)(H,29,30)
InChIKeyQNJYCEVZNUQFFY-UHFFFAOYSA-N
MW424.53 g/mol
LogP2.46
Rot. Bonds6

About 4-[(4-carboxyphenyl)-diphenylsilyl]benzoic acid

4-[(4-carboxyphenyl)-diphenylsilyl]benzoic acid (PubChem CID 13249356) has the molecular formula C26H20O4Si and a molecular weight of 424.53 g/mol. Its IUPAC name is 4-[(4-carboxyphenyl)-diphenylsilyl]benzoic acid.

Molecular Properties

Compound Name4-[(4-carboxyphenyl)-diphenylsilyl]benzoic acid
PubChem CID13249356
Molecular FormulaC26H20O4Si
Molecular Weight424.53 g/mol
Exact Mass424.11
IUPAC Name4-[(4-carboxyphenyl)-diphenylsilyl]benzoic acid
SMILESO=C(O)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C26H20O4Si/c27-25(28)19-11-15-23(16-12-19)31(21-7-3-1-4-8-21,22-9-5-2-6-10-22)24-17-13-20(14-18-24)26(29)30/h1-18H,(H,27,28)(H,29,30)
InChIKeyQNJYCEVZNUQFFY-UHFFFAOYSA-N
XLogP2.46
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzoic acid, 2-(diphenylphosphino)-
CID 87021
[1,1'-Binaphthalene]-8,8'-dicarboxylic acid
CID 94908
4-(Diphenylphosphino)benzoic acid
CID 627824
Aluminum benzoate
CID 68387
4-(Trimethylsilyl)benzoic acid
CID 280169
Stannane, benzoyloxytriphenyl-
CID 16684201
2,2'-Diselenobis(benzoic acid)
CID 23012
(1~1~,2~1~:2~3~,3~1~-Terphenyl)-1~4~,3~4~-dicarboxylic acid
CID 12378414
4-[4-(4-Carboxybenzoyl)benzoyl]benzoic acid
CID 220047
Bis(4-carboxyphenyl)dimethylsilane
CID 301653
4-[(E)-3-oxo-3-(3-trimethylsilylphenyl)prop-1-enyl]benzoic acid
CID 14605650
2-diphenylphosphorylbenzoic Acid
CID 5070268

Frequently Asked Questions

What is the IUPAC name of 4-[(4-carboxyphenyl)-diphenylsilyl]benzoic acid?
The IUPAC name of 4-[(4-carboxyphenyl)-diphenylsilyl]benzoic acid (CID 13249356) is 4-[(4-carboxyphenyl)-diphenylsilyl]benzoic acid.
What is the SMILES notation for 4-[(4-carboxyphenyl)-diphenylsilyl]benzoic acid?
The canonical SMILES for 4-[(4-carboxyphenyl)-diphenylsilyl]benzoic acid is O=C(O)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[(4-carboxyphenyl)-diphenylsilyl]benzoic acid?
The InChIKey is QNJYCEVZNUQFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O4Si/c27-25(28)19-11-15-23(16-12-19)31(21-7-3-1-4-8-21,22-9-5-2-6-10-22)24-17-13-20(14-18-24)26(29)30/h1-18H,(H,27,28)(H,29,30).
What are the key properties of 4-[(4-carboxyphenyl)-diphenylsilyl]benzoic acid?
4-[(4-carboxyphenyl)-diphenylsilyl]benzoic acid has a molecular weight of 424.53 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-carboxyphenyl)-diphenylsilyl]benzoic acid is sourced from PubChem (CID 13249356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).