bis(tetraphenyl-λ5-stibanyl) propanedioate

C51H42O4Sb2 — CID 16714240

IUPACbis(tetraphenyl-λ5-stibanyl) propanedioate
SMILESO=C(CC(=O)O[Sb](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1)O[Sb](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/8C6H5.C3H4O4.2Sb/c8*1-2-4-6-5-3-1;4-2(5)1-3(6)7;;/h8*1-5H;1H2,(H,4,5)(H,6,7);;/q;;;;;;;;;2*+1/p-2
InChIKeyXWHPWZPEFBCRNK-UHFFFAOYSA-L
MW962.41 g/mol
LogP5.52
Rot. Bonds12

About bis(tetraphenyl-λ5-stibanyl) propanedioate

bis(tetraphenyl-λ5-stibanyl) propanedioate (PubChem CID 16714240) has the molecular formula C51H42O4Sb2 and a molecular weight of 962.41 g/mol. Its IUPAC name is bis(tetraphenyl-λ5-stibanyl) propanedioate.

Molecular Properties

Compound Namebis(tetraphenyl-λ5-stibanyl) propanedioate
PubChem CID16714240
Molecular FormulaC51H42O4Sb2
Molecular Weight962.41 g/mol
Exact Mass960.12
IUPAC Namebis(tetraphenyl-λ5-stibanyl) propanedioate
SMILESO=C(CC(=O)O[Sb](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1)O[Sb](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/8C6H5.C3H4O4.2Sb/c8*1-2-4-6-5-3-1;4-2(5)1-3(6)7;;/h8*1-5H;1H2,(H,4,5)(H,6,7);;/q;;;;;;;;;2*+1/p-2
InChIKeyXWHPWZPEFBCRNK-UHFFFAOYSA-L
XLogP5.52
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500962.41
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(tetraphenyl-λ5-stibanyl) acetate
CID 16699436
bis(tetraphenyl-λ5-stibanyl) benzene-1,2-dicarboxylate
CID 16716661
[(2-chloroacetyl)oxy-triphenyl-λ5-stibanyl] 2-chloroacetate
CID 16683776
bis(1-phenylethenyl) propanedioate
CID 89421618
(3S)-5-methoxy-5-oxo-3-phenylpentanoic acid
CID 71352827
dimethyl (3R,4R)-3,4-diphenylhexanedioate
CID 10969442
methyl (3R)-4-amino-3-phenylbutanoate
CID 13314421
methyl 5-benzamidooxypentanoate
CID 87652749
(3-oxo-3-phenylpropanoyl) 3-oxo-3-phenylpropanoate
CID 87499200
3-oxo-3-phenoxypropanoic acid
CID 3015801
methyl 4-amino-3-phenylbutanoate;hydrochloride
CID 68748102
methyl (3S)-3-phenylpent-4-enoate
CID 10511884

Frequently Asked Questions

What is the IUPAC name of bis(tetraphenyl-λ5-stibanyl) propanedioate?
The IUPAC name of bis(tetraphenyl-λ5-stibanyl) propanedioate (CID 16714240) is bis(tetraphenyl-λ5-stibanyl) propanedioate.
What is the SMILES notation for bis(tetraphenyl-λ5-stibanyl) propanedioate?
The canonical SMILES for bis(tetraphenyl-λ5-stibanyl) propanedioate is O=C(CC(=O)O[Sb](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1)O[Sb](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of bis(tetraphenyl-λ5-stibanyl) propanedioate?
The InChIKey is XWHPWZPEFBCRNK-UHFFFAOYSA-L. The full InChI is InChI=1S/8C6H5.C3H4O4.2Sb/c8*1-2-4-6-5-3-1;4-2(5)1-3(6)7;;/h8*1-5H;1H2,(H,4,5)(H,6,7);;/q;;;;;;;;;2*+1/p-2.
What are the key properties of bis(tetraphenyl-λ5-stibanyl) propanedioate?
bis(tetraphenyl-λ5-stibanyl) propanedioate has a molecular weight of 962.41 g/mol, XLogP of 5.52, 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) propanedioate is sourced from PubChem (CID 16714240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).