5-triphenylsilylbenzene-1,3-dicarboxylic acid

C26H20O4Si — CID 19797757

IUPAC5-triphenylsilylbenzene-1,3-dicarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C26H20O4Si/c27-25(28)19-16-20(26(29)30)18-24(17-19)31(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-18H,(H,27,28)(H,29,30)
InChIKeyXIJIWLLGWVRQDH-UHFFFAOYSA-N
MW424.53 g/mol
LogP2.46
Rot. Bonds6

About 5-triphenylsilylbenzene-1,3-dicarboxylic acid

5-triphenylsilylbenzene-1,3-dicarboxylic acid (PubChem CID 19797757) has the molecular formula C26H20O4Si and a molecular weight of 424.53 g/mol. Its IUPAC name is 5-triphenylsilylbenzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-triphenylsilylbenzene-1,3-dicarboxylic acid
PubChem CID19797757
Molecular FormulaC26H20O4Si
Molecular Weight424.53 g/mol
Exact Mass424.11
IUPAC Name5-triphenylsilylbenzene-1,3-dicarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C26H20O4Si/c27-25(28)19-16-20(26(29)30)18-24(17-19)31(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-18H,(H,27,28)(H,29,30)
InChIKeyXIJIWLLGWVRQDH-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

benzene;benzene-1,3,5-tricarboxylic acid;carbonic acid
CID 174275338
3-[dimethyl(phenyl)silyl]benzoic acid
CID 134100094
benzene-1,3,5-tricarboxylic acid;europium
CID 172691407
benzene-1,3,5-tricarboxylic acid;vanadium
CID 166458102
azane;benzene-1,3,5-tricarboxylic acid
CID 172833509
tris(benzene-1,3,5-tricarboxylic acid);trihydrochloride
CID 66646410
benzene;5-(3,5-dicarboxyphenyl)benzene-1,3-dicarboxylic acid
CID 175078023
barium(2+);benzene-1,3,5-tricarboxylic acid;hydride
CID 174613622
benzene-1,3,5-tricarboxylic acid;cerium;thorium
CID 175461142
benzene-1,3,5-tricarboxylic acid;europium;lanthanum
CID 174874160
4-[dimethyl(phenyl)silyl]benzoic acid
CID 142466925
benzene-1,3-dicarboxylic acid;rhodium
CID 158643535

Frequently Asked Questions

What is the IUPAC name of 5-triphenylsilylbenzene-1,3-dicarboxylic acid?
The IUPAC name of 5-triphenylsilylbenzene-1,3-dicarboxylic acid (CID 19797757) is 5-triphenylsilylbenzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-triphenylsilylbenzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-triphenylsilylbenzene-1,3-dicarboxylic acid is O=C(O)c1cc(C(=O)O)cc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 5-triphenylsilylbenzene-1,3-dicarboxylic acid?
The InChIKey is XIJIWLLGWVRQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O4Si/c27-25(28)19-16-20(26(29)30)18-24(17-19)31(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-18H,(H,27,28)(H,29,30).
What are the key properties of 5-triphenylsilylbenzene-1,3-dicarboxylic acid?
5-triphenylsilylbenzene-1,3-dicarboxylic 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 5-triphenylsilylbenzene-1,3-dicarboxylic acid is sourced from PubChem (CID 19797757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).