6-[4-(2,3,5-tricarboxyphenyl)phenyl]benzene-1,2,4-tricarboxylic acid

C24H14O12 — CID 56633128

IUPAC6-[4-(2,3,5-tricarboxyphenyl)phenyl]benzene-1,2,4-tricarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c(C(=O)O)c(-c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3C(=O)O)cc2)c1
InChIInChI=1S/C24H14O12/c25-19(26)11-5-13(17(23(33)34)15(7-11)21(29)30)9-1-2-10(4-3-9)14-6-12(20(27)28)8-16(22(31)32)18(14)24(35)36/h1-8H,(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)
InChIKeyMVZDZKZRNMLEGD-UHFFFAOYSA-N
MW494.36 g/mol
LogP3.21
Rot. Bonds8

About 6-[4-(2,3,5-tricarboxyphenyl)phenyl]benzene-1,2,4-tricarboxylic acid

6-[4-(2,3,5-tricarboxyphenyl)phenyl]benzene-1,2,4-tricarboxylic acid (PubChem CID 56633128) has the molecular formula C24H14O12 and a molecular weight of 494.36 g/mol. Its IUPAC name is 6-[4-(2,3,5-tricarboxyphenyl)phenyl]benzene-1,2,4-tricarboxylic acid.

Molecular Properties

Compound Name6-[4-(2,3,5-tricarboxyphenyl)phenyl]benzene-1,2,4-tricarboxylic acid
PubChem CID56633128
Molecular FormulaC24H14O12
Molecular Weight494.36 g/mol
Exact Mass494.05
IUPAC Name6-[4-(2,3,5-tricarboxyphenyl)phenyl]benzene-1,2,4-tricarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c(C(=O)O)c(-c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3C(=O)O)cc2)c1
InChIInChI=1S/C24H14O12/c25-19(26)11-5-13(17(23(33)34)15(7-11)21(29)30)9-1-2-10(4-3-9)14-6-12(20(27)28)8-16(22(31)32)18(14)24(35)36/h1-8H,(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)
InChIKeyMVZDZKZRNMLEGD-UHFFFAOYSA-N
XLogP3.21
TPSA223.80 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.36
LogP ≤ 53.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

azulene-1,2,5,7-tetracarboxylic acid
CID 139786377
6-(2-phenylphenyl)benzene-1,2,4-tricarboxylic acid
CID 139636462
6-(3-carboxyphenyl)benzene-1,2,4-tricarboxylic acid
CID 66765387
benzene-1,2,3,4-tetracarboxylic acid;benzene-1,2,3,5-tetracarboxylic acid
CID 162258844
5-(2,5-dicarboxyphenyl)-4-(3,5-dicarboxyphenyl)benzene-1,3-dicarboxylic acid
CID 172759883
4-cyano-5-phenylbenzene-1,3-dicarboxylic acid
CID 175702461
4-(2-carboxyphenyl)-2-(4-carboxyphenyl)benzoic acid
CID 102275934
3,4,5-tris(4-methylphenyl)phthalic acid
CID 19903031
6-(phenylcarbamoyl)benzene-1,2,4-tricarboxylic acid
CID 54546942
3-(4-hydroxyphenyl)phthalic acid
CID 45486596
oxo-bis(2,3,5-tricarboxyphenoxy)phosphanium
CID 69282312
4,5-diphenylbenzene-1,2,3-tricarboxylic acid
CID 91377985

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,3,5-tricarboxyphenyl)phenyl]benzene-1,2,4-tricarboxylic acid?
The IUPAC name of 6-[4-(2,3,5-tricarboxyphenyl)phenyl]benzene-1,2,4-tricarboxylic acid (CID 56633128) is 6-[4-(2,3,5-tricarboxyphenyl)phenyl]benzene-1,2,4-tricarboxylic acid.
What is the SMILES notation for 6-[4-(2,3,5-tricarboxyphenyl)phenyl]benzene-1,2,4-tricarboxylic acid?
The canonical SMILES for 6-[4-(2,3,5-tricarboxyphenyl)phenyl]benzene-1,2,4-tricarboxylic acid is O=C(O)c1cc(C(=O)O)c(C(=O)O)c(-c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3C(=O)O)cc2)c1.
What is the InChIKey of 6-[4-(2,3,5-tricarboxyphenyl)phenyl]benzene-1,2,4-tricarboxylic acid?
The InChIKey is MVZDZKZRNMLEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14O12/c25-19(26)11-5-13(17(23(33)34)15(7-11)21(29)30)9-1-2-10(4-3-9)14-6-12(20(27)28)8-16(22(31)32)18(14)24(35)36/h1-8H,(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36).
What are the key properties of 6-[4-(2,3,5-tricarboxyphenyl)phenyl]benzene-1,2,4-tricarboxylic acid?
6-[4-(2,3,5-tricarboxyphenyl)phenyl]benzene-1,2,4-tricarboxylic acid has a molecular weight of 494.36 g/mol, XLogP of 3.21, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,3,5-tricarboxyphenyl)phenyl]benzene-1,2,4-tricarboxylic acid is sourced from PubChem (CID 56633128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).