10-phenoxarsinin-10-yloxyphenoxarsinine

C24H16As2O3 — CID 6017

IUPAC10-phenoxarsinin-10-yloxyphenoxarsinine
SMILESc1ccc2c(c1)Oc1ccccc1[As]2O[As]1c2ccccc2Oc2ccccc21
InChIInChI=1S/C24H16As2O3/c1-5-13-21-17(9-1)25(18-10-2-6-14-22(18)27-21)29-26-19-11-3-7-15-23(19)28-24-16-8-4-12-20(24)26/h1-16H
InChIKeyVCRZAKVGPJFABU-UHFFFAOYSA-N
MW502.23 g/mol
LogP2.83
Rot. Bonds2

About 10-phenoxarsinin-10-yloxyphenoxarsinine

10-phenoxarsinin-10-yloxyphenoxarsinine (PubChem CID 6017) has the molecular formula C24H16As2O3 and a molecular weight of 502.23 g/mol. Its IUPAC name is 10-phenoxarsinin-10-yloxyphenoxarsinine.

Molecular Properties

Compound Name10-phenoxarsinin-10-yloxyphenoxarsinine
PubChem CID6017
Molecular FormulaC24H16As2O3
Molecular Weight502.23 g/mol
Exact Mass501.95
IUPAC Name10-phenoxarsinin-10-yloxyphenoxarsinine
SMILESc1ccc2c(c1)Oc1ccccc1[As]2O[As]1c2ccccc2Oc2ccccc21
InChIInChI=1S/C24H16As2O3/c1-5-13-21-17(9-1)25(18-10-2-6-14-22(18)27-21)29-26-19-11-3-7-15-23(19)28-24-16-8-4-12-20(24)26/h1-16H
InChIKeyVCRZAKVGPJFABU-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
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 10-phenoxarsinin-10-yloxyphenoxarsinine?
The IUPAC name of 10-phenoxarsinin-10-yloxyphenoxarsinine (CID 6017) is 10-phenoxarsinin-10-yloxyphenoxarsinine.
What is the SMILES notation for 10-phenoxarsinin-10-yloxyphenoxarsinine?
The canonical SMILES for 10-phenoxarsinin-10-yloxyphenoxarsinine is c1ccc2c(c1)Oc1ccccc1[As]2O[As]1c2ccccc2Oc2ccccc21.
What is the InChIKey of 10-phenoxarsinin-10-yloxyphenoxarsinine?
The InChIKey is VCRZAKVGPJFABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16As2O3/c1-5-13-21-17(9-1)25(18-10-2-6-14-22(18)27-21)29-26-19-11-3-7-15-23(19)28-24-16-8-4-12-20(24)26/h1-16H.
What are the key properties of 10-phenoxarsinin-10-yloxyphenoxarsinine?
10-phenoxarsinin-10-yloxyphenoxarsinine has a molecular weight of 502.23 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenoxarsinin-10-yloxyphenoxarsinine is sourced from PubChem (CID 6017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).