2,5-diphenylterephthalic acid;bis(trideuterio(trideuteriomethylsulfinyl)methane)

C24H26O6S2 — CID 139083328

IUPAC2,5-diphenylterephthalic acid;bis(trideuterio(trideuteriomethylsulfinyl)methane)
SMILESO=C(O)c1cc(-c2ccccc2)c(C(=O)O)cc1-c1ccccc1.[2H]C([2H])([2H])S(=O)C([2H])([2H])[2H].[2H]C([2H])([2H])S(=O)C([2H])([2H])[2H]
InChIInChI=1S/C20H14O4.2C2H6OS/c21-19(22)17-12-16(14-9-5-2-6-10-14)18(20(23)24)11-15(17)13-7-3-1-4-8-13;2*1-4(2)3/h1-12H,(H,21,22)(H,23,24);2*1-2H3/i;2*1D3,2D3
InChIKeyWEJJZGVTRAWAHH-RGPFGFIDSA-N
MW486.67 g/mol
LogP4.41
Rot. Bonds8

About 2,5-diphenylterephthalic acid;bis(trideuterio(trideuteriomethylsulfinyl)methane)

2,5-diphenylterephthalic acid;bis(trideuterio(trideuteriomethylsulfinyl)methane) (PubChem CID 139083328) has the molecular formula C24H26O6S2 and a molecular weight of 486.67 g/mol. Its IUPAC name is 2,5-diphenylterephthalic acid;bis(trideuterio(trideuteriomethylsulfinyl)methane).

Molecular Properties

Compound Name2,5-diphenylterephthalic acid;bis(trideuterio(trideuteriomethylsulfinyl)methane)
PubChem CID139083328
Molecular FormulaC24H26O6S2
Molecular Weight486.67 g/mol
Exact Mass486.19
IUPAC Name2,5-diphenylterephthalic acid;bis(trideuterio(trideuteriomethylsulfinyl)methane)
SMILESO=C(O)c1cc(-c2ccccc2)c(C(=O)O)cc1-c1ccccc1.[2H]C([2H])([2H])S(=O)C([2H])([2H])[2H].[2H]C([2H])([2H])S(=O)C([2H])([2H])[2H]
InChIInChI=1S/C20H14O4.2C2H6OS/c21-19(22)17-12-16(14-9-5-2-6-10-14)18(20(23)24)11-15(17)13-7-3-1-4-8-13;2*1-4(2)3/h1-12H,(H,21,22)(H,23,24);2*1-2H3/i;2*1D3,2D3
InChIKeyWEJJZGVTRAWAHH-RGPFGFIDSA-N
XLogP4.41
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.67
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dipyridin-4-ylterephthalic acid
CID 163197795
4-chloro-2-phenylbenzoic acid
CID 11424784
6-methyl-4-phenylpyridine-3-carboxylic acid
CID 82113463
2,5-bis(2-carboxyphenyl)terephthalic acid
CID 15619214
2,5-dihydroxy-4-phenylbenzoic acid
CID 154086756
6-(2-phenylphenyl)benzene-1,2,4-tricarboxylic acid
CID 139636462
4,5-diphenylbenzene-1,2,3-tricarboxylic acid
CID 91377985
4-methoxy-2-phenyl-5-propan-2-ylbenzoic acid
CID 150553095
9-oxo-1,4-diphenylfluorene-3-carboxylic acid
CID 141295557
2-[2-(2-phenylphenyl)phenyl]benzoic acid
CID 141238749
acetylene;2-phenylbenzoic acid
CID 67726329
2-oxo-5-phenyl-1H-pyridine-4-carboxylic acid
CID 46314981

Frequently Asked Questions

What is the IUPAC name of 2,5-diphenylterephthalic acid;bis(trideuterio(trideuteriomethylsulfinyl)methane)?
The IUPAC name of 2,5-diphenylterephthalic acid;bis(trideuterio(trideuteriomethylsulfinyl)methane) (CID 139083328) is 2,5-diphenylterephthalic acid;bis(trideuterio(trideuteriomethylsulfinyl)methane).
What is the SMILES notation for 2,5-diphenylterephthalic acid;bis(trideuterio(trideuteriomethylsulfinyl)methane)?
The canonical SMILES for 2,5-diphenylterephthalic acid;bis(trideuterio(trideuteriomethylsulfinyl)methane) is O=C(O)c1cc(-c2ccccc2)c(C(=O)O)cc1-c1ccccc1.[2H]C([2H])([2H])S(=O)C([2H])([2H])[2H].[2H]C([2H])([2H])S(=O)C([2H])([2H])[2H].
What is the InChIKey of 2,5-diphenylterephthalic acid;bis(trideuterio(trideuteriomethylsulfinyl)methane)?
The InChIKey is WEJJZGVTRAWAHH-RGPFGFIDSA-N. The full InChI is InChI=1S/C20H14O4.2C2H6OS/c21-19(22)17-12-16(14-9-5-2-6-10-14)18(20(23)24)11-15(17)13-7-3-1-4-8-13;2*1-4(2)3/h1-12H,(H,21,22)(H,23,24);2*1-2H3/i;2*1D3,2D3.
What are the key properties of 2,5-diphenylterephthalic acid;bis(trideuterio(trideuteriomethylsulfinyl)methane)?
2,5-diphenylterephthalic acid;bis(trideuterio(trideuteriomethylsulfinyl)methane) has a molecular weight of 486.67 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenylterephthalic acid;bis(trideuterio(trideuteriomethylsulfinyl)methane) is sourced from PubChem (CID 139083328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).