1-(10H-phenoxarsinin-1-yloxy)-10H-phenoxarsinine

C24H16As2O3 — CID 149252230

IUPAC1-(10H-phenoxarsinin-1-yloxy)-10H-phenoxarsinine
SMILESc1ccc2c(c1)Oc1cccc(Oc3cccc4c3[AsH]c3ccccc3O4)c1[AsH]2
InChIInChI=1S/C24H16As2O3/c1-3-9-17-15(7-1)25-23-19(27-17)11-5-13-21(23)29-22-14-6-12-20-24(22)26-16-8-2-4-10-18(16)28-20/h1-14,25-26H
InChIKeyMIYNXKUVZDJLLJ-UHFFFAOYSA-N
MW502.23 g/mol
LogP2.46
Rot. Bonds2

About 1-(10H-phenoxarsinin-1-yloxy)-10H-phenoxarsinine

1-(10H-phenoxarsinin-1-yloxy)-10H-phenoxarsinine (PubChem CID 149252230) has the molecular formula C24H16As2O3 and a molecular weight of 502.23 g/mol. Its IUPAC name is 1-(10H-phenoxarsinin-1-yloxy)-10H-phenoxarsinine.

Molecular Properties

Compound Name1-(10H-phenoxarsinin-1-yloxy)-10H-phenoxarsinine
PubChem CID149252230
Molecular FormulaC24H16As2O3
Molecular Weight502.23 g/mol
Exact Mass501.95
IUPAC Name1-(10H-phenoxarsinin-1-yloxy)-10H-phenoxarsinine
SMILESc1ccc2c(c1)Oc1cccc(Oc3cccc4c3[AsH]c3ccccc3O4)c1[AsH]2
InChIInChI=1S/C24H16As2O3/c1-3-9-17-15(7-1)25-23-19(27-17)11-5-13-21(23)29-22-14-6-12-20-24(22)26-16-8-2-4-10-18(16)28-20/h1-14,25-26H
InChIKeyMIYNXKUVZDJLLJ-UHFFFAOYSA-N
XLogP2.46
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.23
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-(10H-phenoxarsinin-1-yloxy)-10H-phenoxarsinine?
The IUPAC name of 1-(10H-phenoxarsinin-1-yloxy)-10H-phenoxarsinine (CID 149252230) is 1-(10H-phenoxarsinin-1-yloxy)-10H-phenoxarsinine.
What is the SMILES notation for 1-(10H-phenoxarsinin-1-yloxy)-10H-phenoxarsinine?
The canonical SMILES for 1-(10H-phenoxarsinin-1-yloxy)-10H-phenoxarsinine is c1ccc2c(c1)Oc1cccc(Oc3cccc4c3[AsH]c3ccccc3O4)c1[AsH]2.
What is the InChIKey of 1-(10H-phenoxarsinin-1-yloxy)-10H-phenoxarsinine?
The InChIKey is MIYNXKUVZDJLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16As2O3/c1-3-9-17-15(7-1)25-23-19(27-17)11-5-13-21(23)29-22-14-6-12-20-24(22)26-16-8-2-4-10-18(16)28-20/h1-14,25-26H.
What are the key properties of 1-(10H-phenoxarsinin-1-yloxy)-10H-phenoxarsinine?
1-(10H-phenoxarsinin-1-yloxy)-10H-phenoxarsinine has a molecular weight of 502.23 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10H-phenoxarsinin-1-yloxy)-10H-phenoxarsinine is sourced from PubChem (CID 149252230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).