bis(tetraphenyl-λ5-stibanyl) benzene-1,2-dicarboxylate

C56H44O4Sb2 — CID 16716661

IUPACbis(tetraphenyl-λ5-stibanyl) benzene-1,2-dicarboxylate
SMILESO=C(O[Sb](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1C(=O)O[Sb](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C8H6O4.8C6H5.2Sb/c9-7(10)5-3-1-2-4-6(5)8(11)12;8*1-2-4-6-5-3-1;;/h1-4H,(H,9,10)(H,11,12);8*1-5H;;/q;;;;;;;;;2*+1/p-2
InChIKeyPPVDMSOIPIRJOG-UHFFFAOYSA-L
MW1024.48 g/mol
LogP7.06
Rot. Bonds12

About bis(tetraphenyl-λ5-stibanyl) benzene-1,2-dicarboxylate

bis(tetraphenyl-λ5-stibanyl) benzene-1,2-dicarboxylate (PubChem CID 16716661) has the molecular formula C56H44O4Sb2 and a molecular weight of 1024.48 g/mol. Its IUPAC name is bis(tetraphenyl-λ5-stibanyl) benzene-1,2-dicarboxylate.

Molecular Properties

Compound Namebis(tetraphenyl-λ5-stibanyl) benzene-1,2-dicarboxylate
PubChem CID16716661
Molecular FormulaC56H44O4Sb2
Molecular Weight1024.48 g/mol
Exact Mass1022.13
IUPAC Namebis(tetraphenyl-λ5-stibanyl) benzene-1,2-dicarboxylate
SMILESO=C(O[Sb](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1C(=O)O[Sb](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C8H6O4.8C6H5.2Sb/c9-7(10)5-3-1-2-4-6(5)8(11)12;8*1-2-4-6-5-3-1;;/h1-4H,(H,9,10)(H,11,12);8*1-5H;;/q;;;;;;;;;2*+1/p-2
InChIKeyPPVDMSOIPIRJOG-UHFFFAOYSA-L
XLogP7.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001024.48
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(tetraphenyl-λ5-stibanyl) acetate
CID 16699436
bis(tetraphenyl-λ5-stibanyl) propanedioate
CID 16714240
dicarboxy benzene-1,2-dicarboxylate
CID 57208478
[tetrakis(4-methylphenyl)-λ5-stibanyl] 2,3-difluorobenzoate
CID 164890429
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
bis(4-methoxybutyl) benzene-1,2-dicarboxylate
CID 57031547
2-(tetraethyl-λ5-phosphanyl)oxycarbonylbenzoic acid
CID 67930573
(2R)-2-[2-[(1R)-1-carboxy-2,2-dimethylpropoxy]carbonylbenzoyl]oxy-3,3-dimethylbutanoic acid
CID 102177244
diphenyl benzene-1,2-dicarboxylate;phenol
CID 174922398
4-[2-(4-carboxybenzoyl)oxycarbonylbenzoyl]oxycarbonylbenzoic acid
CID 57485280
hydron;phthalic acid
CID 67386665

Frequently Asked Questions

What is the IUPAC name of bis(tetraphenyl-λ5-stibanyl) benzene-1,2-dicarboxylate?
The IUPAC name of bis(tetraphenyl-λ5-stibanyl) benzene-1,2-dicarboxylate (CID 16716661) is bis(tetraphenyl-λ5-stibanyl) benzene-1,2-dicarboxylate.
What is the SMILES notation for bis(tetraphenyl-λ5-stibanyl) benzene-1,2-dicarboxylate?
The canonical SMILES for bis(tetraphenyl-λ5-stibanyl) benzene-1,2-dicarboxylate is O=C(O[Sb](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1C(=O)O[Sb](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of bis(tetraphenyl-λ5-stibanyl) benzene-1,2-dicarboxylate?
The InChIKey is PPVDMSOIPIRJOG-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H6O4.8C6H5.2Sb/c9-7(10)5-3-1-2-4-6(5)8(11)12;8*1-2-4-6-5-3-1;;/h1-4H,(H,9,10)(H,11,12);8*1-5H;;/q;;;;;;;;;2*+1/p-2.
What are the key properties of bis(tetraphenyl-λ5-stibanyl) benzene-1,2-dicarboxylate?
bis(tetraphenyl-λ5-stibanyl) benzene-1,2-dicarboxylate has a molecular weight of 1024.48 g/mol, XLogP of 7.06, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tetraphenyl-λ5-stibanyl) benzene-1,2-dicarboxylate is sourced from PubChem (CID 16716661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).