6-(2-phenylphenyl)benzene-1,2,4-tricarboxylic acid

C21H14O6 — CID 139636462

IUPAC6-(2-phenylphenyl)benzene-1,2,4-tricarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c(C(=O)O)c(-c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C21H14O6/c22-19(23)13-10-16(18(21(26)27)17(11-13)20(24)25)15-9-5-4-8-14(15)12-6-2-1-3-7-12/h1-11H,(H,22,23)(H,24,25)(H,26,27)
InChIKeyBQULIXAELLAXTR-UHFFFAOYSA-N
MW362.34 g/mol
LogP4.12
Rot. Bonds5

About 6-(2-phenylphenyl)benzene-1,2,4-tricarboxylic acid

6-(2-phenylphenyl)benzene-1,2,4-tricarboxylic acid (PubChem CID 139636462) has the molecular formula C21H14O6 and a molecular weight of 362.34 g/mol. Its IUPAC name is 6-(2-phenylphenyl)benzene-1,2,4-tricarboxylic acid.

Molecular Properties

Compound Name6-(2-phenylphenyl)benzene-1,2,4-tricarboxylic acid
PubChem CID139636462
Molecular FormulaC21H14O6
Molecular Weight362.34 g/mol
Exact Mass362.08
IUPAC Name6-(2-phenylphenyl)benzene-1,2,4-tricarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c(C(=O)O)c(-c2ccccc2-c2ccccc2)c1
InChIInChI=1S/C21H14O6/c22-19(23)13-10-16(18(21(26)27)17(11-13)20(24)25)15-9-5-4-8-14(15)12-6-2-1-3-7-12/h1-11H,(H,22,23)(H,24,25)(H,26,27)
InChIKeyBQULIXAELLAXTR-UHFFFAOYSA-N
XLogP4.12
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-[4-(2,3,5-tricarboxyphenyl)phenyl]benzene-1,2,4-tricarboxylic acid
CID 56633128
5-[2-[2-(2-phenylphenyl)phenyl]phenyl]benzene-1,2,3,4-tetracarboxylic acid
CID 139991262
6-(3-carboxyphenyl)benzene-1,2,4-tricarboxylic acid
CID 66765387
2-(2-phenylphenyl)terephthalic acid
CID 67851740
2-[2-(2-phenylphenyl)phenyl]benzoic acid
CID 141238749
azulene-1,2,5,7-tetracarboxylic acid
CID 139786377
3-phenylphthalic acid;dihydrobromide
CID 67683459
4-cyano-5-phenylbenzene-1,3-dicarboxylic acid
CID 175702461
4-(4-carboxybenzoyl)benzoic acid;3-phenylphthalic acid
CID 175394432
anthracene;3-phenylphthalic acid
CID 161382372
4,5-diphenylbenzene-1,2,3-tricarboxylic acid
CID 91377985
benzene-1,2,3,4-tetracarboxylic acid;benzene-1,2,3,5-tetracarboxylic acid
CID 162258844

Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylphenyl)benzene-1,2,4-tricarboxylic acid?
The IUPAC name of 6-(2-phenylphenyl)benzene-1,2,4-tricarboxylic acid (CID 139636462) is 6-(2-phenylphenyl)benzene-1,2,4-tricarboxylic acid.
What is the SMILES notation for 6-(2-phenylphenyl)benzene-1,2,4-tricarboxylic acid?
The canonical SMILES for 6-(2-phenylphenyl)benzene-1,2,4-tricarboxylic acid is O=C(O)c1cc(C(=O)O)c(C(=O)O)c(-c2ccccc2-c2ccccc2)c1.
What is the InChIKey of 6-(2-phenylphenyl)benzene-1,2,4-tricarboxylic acid?
The InChIKey is BQULIXAELLAXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O6/c22-19(23)13-10-16(18(21(26)27)17(11-13)20(24)25)15-9-5-4-8-14(15)12-6-2-1-3-7-12/h1-11H,(H,22,23)(H,24,25)(H,26,27).
What are the key properties of 6-(2-phenylphenyl)benzene-1,2,4-tricarboxylic acid?
6-(2-phenylphenyl)benzene-1,2,4-tricarboxylic acid has a molecular weight of 362.34 g/mol, XLogP of 4.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylphenyl)benzene-1,2,4-tricarboxylic acid is sourced from PubChem (CID 139636462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).