5,5-Diphenyl-3,7-diarsa-2,4,6,8-tetraoxa-5-plumbanonane 3,7-dioxide

C14H16As2O6Pb — CID 163360618

IUPAC—
SMILESCO[As](=O)O[Pb](O[As](=O)OC)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C6H5.2CH3AsO3.Pb/c2*1-2-4-6-5-3-1;2*1-5-2(3)4;/h2*1-5H;2*1H3;/q;;2*-1;+2
InChIKeyCQSULIHSUWZRHN-UHFFFAOYSA-N
MW637.32 g/mol
LogP0.40
Rot. Bonds8

About 5,5-Diphenyl-3,7-diarsa-2,4,6,8-tetraoxa-5-plumbanonane 3,7-dioxide

5,5-Diphenyl-3,7-diarsa-2,4,6,8-tetraoxa-5-plumbanonane 3,7-dioxide (PubChem CID 163360618) has the molecular formula C14H16As2O6Pb and a molecular weight of 637.32 g/mol.

Molecular Properties

Compound Name5,5-Diphenyl-3,7-diarsa-2,4,6,8-tetraoxa-5-plumbanonane 3,7-dioxide
PubChem CID163360618
Molecular FormulaC14H16As2O6Pb
Molecular Weight637.32 g/mol
Exact Mass637.91
IUPAC Name—
SMILESCO[As](=O)O[Pb](O[As](=O)OC)(c1ccccc1)c1ccccc1
InChIInChI=1S/2C6H5.2CH3AsO3.Pb/c2*1-2-4-6-5-3-1;2*1-5-2(3)4;/h2*1-5H;2*1H3;/q;;2*-1;+2
InChIKeyCQSULIHSUWZRHN-UHFFFAOYSA-N
XLogP0.40
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500637.32
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-Diphenyl-3,7-diarsa-2,4,6,8-tetraoxa-5-plumbanonane 3,7-dioxide?
The IUPAC name of 5,5-Diphenyl-3,7-diarsa-2,4,6,8-tetraoxa-5-plumbanonane 3,7-dioxide (CID 163360618) is not available.
What is the SMILES notation for 5,5-Diphenyl-3,7-diarsa-2,4,6,8-tetraoxa-5-plumbanonane 3,7-dioxide?
The canonical SMILES for 5,5-Diphenyl-3,7-diarsa-2,4,6,8-tetraoxa-5-plumbanonane 3,7-dioxide is CO[As](=O)O[Pb](O[As](=O)OC)(c1ccccc1)c1ccccc1.
What is the InChIKey of 5,5-Diphenyl-3,7-diarsa-2,4,6,8-tetraoxa-5-plumbanonane 3,7-dioxide?
The InChIKey is CQSULIHSUWZRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5.2CH3AsO3.Pb/c2*1-2-4-6-5-3-1;2*1-5-2(3)4;/h2*1-5H;2*1H3;/q;;2*-1;+2.
What are the key properties of 5,5-Diphenyl-3,7-diarsa-2,4,6,8-tetraoxa-5-plumbanonane 3,7-dioxide?
5,5-Diphenyl-3,7-diarsa-2,4,6,8-tetraoxa-5-plumbanonane 3,7-dioxide has a molecular weight of 637.32 g/mol, XLogP of 0.40, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-Diphenyl-3,7-diarsa-2,4,6,8-tetraoxa-5-plumbanonane 3,7-dioxide is sourced from PubChem (CID 163360618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).