5-[2-[2-(2-phenylphenyl)phenyl]phenyl]benzene-1,2,3,4-tetracarboxylic acid

C34H22O8 — CID 139991262

IUPAC5-[2-[2-(2-phenylphenyl)phenyl]phenyl]benzene-1,2,3,4-tetracarboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2-c2ccccc2-c2ccccc2-c2ccccc2)c(C(=O)O)c(C(=O)O)c1C(=O)O
InChIInChI=1S/C34H22O8/c35-31(36)27-18-26(28(32(37)38)30(34(41)42)29(27)33(39)40)25-17-9-8-16-24(25)23-15-7-6-14-22(23)21-13-5-4-12-20(21)19-10-2-1-3-11-19/h1-18H,(H,35,36)(H,37,38)(H,39,40)(H,41,42)
InChIKeyHPTOBCLEFAWCMN-UHFFFAOYSA-N
MW558.54 g/mol
LogP7.15
Rot. Bonds8

About 5-[2-[2-(2-phenylphenyl)phenyl]phenyl]benzene-1,2,3,4-tetracarboxylic acid

5-[2-[2-(2-phenylphenyl)phenyl]phenyl]benzene-1,2,3,4-tetracarboxylic acid (PubChem CID 139991262) has the molecular formula C34H22O8 and a molecular weight of 558.54 g/mol. Its IUPAC name is 5-[2-[2-(2-phenylphenyl)phenyl]phenyl]benzene-1,2,3,4-tetracarboxylic acid.

Molecular Properties

Compound Name5-[2-[2-(2-phenylphenyl)phenyl]phenyl]benzene-1,2,3,4-tetracarboxylic acid
PubChem CID139991262
Molecular FormulaC34H22O8
Molecular Weight558.54 g/mol
Exact Mass558.13
IUPAC Name5-[2-[2-(2-phenylphenyl)phenyl]phenyl]benzene-1,2,3,4-tetracarboxylic acid
SMILESO=C(O)c1cc(-c2ccccc2-c2ccccc2-c2ccccc2-c2ccccc2)c(C(=O)O)c(C(=O)O)c1C(=O)O
InChIInChI=1S/C34H22O8/c35-31(36)27-18-26(28(32(37)38)30(34(41)42)29(27)33(39)40)25-17-9-8-16-24(25)23-15-7-6-14-22(23)21-13-5-4-12-20(21)19-10-2-1-3-11-19/h1-18H,(H,35,36)(H,37,38)(H,39,40)(H,41,42)
InChIKeyHPTOBCLEFAWCMN-UHFFFAOYSA-N
XLogP7.15
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.54
LogP ≤ 57.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-phenylphenyl)benzene-1,2,4-tricarboxylic acid
CID 139636462
4,5-diphenylbenzene-1,2,3-tricarboxylic acid
CID 91377985
2-[2-(2-phenylphenyl)phenyl]benzoic acid
CID 141238749
3-phenylphthalic acid;dihydrobromide
CID 67683459
2-(2-phenylphenyl)terephthalic acid
CID 67851740
2-hydroxy-3-(2-phenylphenyl)benzoic acid
CID 67822406
anthracene;3-phenylphthalic acid
CID 161382372
5-benzoylbenzene-1,2,3,4-tetracarboxylic acid
CID 19877064
4-phenyl-6-prop-2-enoxycarbonylbenzene-1,2,3-tricarboxylic acid
CID 88674867
acetylene;2-phenylbenzoic acid
CID 67726329
9-oxo-1,4-diphenylfluorene-3-carboxylic acid
CID 141295557
2-amino-3-fluoro-5-phenylterephthalic acid
CID 175158436

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(2-phenylphenyl)phenyl]phenyl]benzene-1,2,3,4-tetracarboxylic acid?
The IUPAC name of 5-[2-[2-(2-phenylphenyl)phenyl]phenyl]benzene-1,2,3,4-tetracarboxylic acid (CID 139991262) is 5-[2-[2-(2-phenylphenyl)phenyl]phenyl]benzene-1,2,3,4-tetracarboxylic acid.
What is the SMILES notation for 5-[2-[2-(2-phenylphenyl)phenyl]phenyl]benzene-1,2,3,4-tetracarboxylic acid?
The canonical SMILES for 5-[2-[2-(2-phenylphenyl)phenyl]phenyl]benzene-1,2,3,4-tetracarboxylic acid is O=C(O)c1cc(-c2ccccc2-c2ccccc2-c2ccccc2-c2ccccc2)c(C(=O)O)c(C(=O)O)c1C(=O)O.
What is the InChIKey of 5-[2-[2-(2-phenylphenyl)phenyl]phenyl]benzene-1,2,3,4-tetracarboxylic acid?
The InChIKey is HPTOBCLEFAWCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22O8/c35-31(36)27-18-26(28(32(37)38)30(34(41)42)29(27)33(39)40)25-17-9-8-16-24(25)23-15-7-6-14-22(23)21-13-5-4-12-20(21)19-10-2-1-3-11-19/h1-18H,(H,35,36)(H,37,38)(H,39,40)(H,41,42).
What are the key properties of 5-[2-[2-(2-phenylphenyl)phenyl]phenyl]benzene-1,2,3,4-tetracarboxylic acid?
5-[2-[2-(2-phenylphenyl)phenyl]phenyl]benzene-1,2,3,4-tetracarboxylic acid has a molecular weight of 558.54 g/mol, XLogP of 7.15, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(2-phenylphenyl)phenyl]phenyl]benzene-1,2,3,4-tetracarboxylic acid is sourced from PubChem (CID 139991262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).