10-(5H-phenarsazinin-10-yloxy)-5H-phenarsazinine

C24H18As2N2O — CID 20037

IUPAC10-(5H-phenarsazinin-10-yloxy)-5H-phenarsazinine
SMILESc1ccc2c(c1)Nc1ccccc1[As]2O[As]1c2ccccc2Nc2ccccc21
InChIInChI=1S/C24H18As2N2O/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/h1-16,27-28H
InChIKeySDMIOFRAYIQSKO-UHFFFAOYSA-N
MW500.27 g/mol
LogP2.73
Rot. Bonds2

About 10-(5H-phenarsazinin-10-yloxy)-5H-phenarsazinine

10-(5H-phenarsazinin-10-yloxy)-5H-phenarsazinine (PubChem CID 20037) has the molecular formula C24H18As2N2O and a molecular weight of 500.27 g/mol. Its IUPAC name is 10-(5H-phenarsazinin-10-yloxy)-5H-phenarsazinine.

Molecular Properties

Compound Name10-(5H-phenarsazinin-10-yloxy)-5H-phenarsazinine
PubChem CID20037
Molecular FormulaC24H18As2N2O
Molecular Weight500.27 g/mol
Exact Mass499.99
IUPAC Name10-(5H-phenarsazinin-10-yloxy)-5H-phenarsazinine
SMILESc1ccc2c(c1)Nc1ccccc1[As]2O[As]1c2ccccc2Nc2ccccc21
InChIInChI=1S/C24H18As2N2O/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/h1-16,27-28H
InChIKeySDMIOFRAYIQSKO-UHFFFAOYSA-N
XLogP2.73
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.27
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 10-(5H-phenarsazinin-10-yloxy)-5H-phenarsazinine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-(5H-phenarsazinin-10-yloxy)-5H-phenarsazinine?
The IUPAC name of 10-(5H-phenarsazinin-10-yloxy)-5H-phenarsazinine (CID 20037) is 10-(5H-phenarsazinin-10-yloxy)-5H-phenarsazinine.
What is the SMILES notation for 10-(5H-phenarsazinin-10-yloxy)-5H-phenarsazinine?
The canonical SMILES for 10-(5H-phenarsazinin-10-yloxy)-5H-phenarsazinine is c1ccc2c(c1)Nc1ccccc1[As]2O[As]1c2ccccc2Nc2ccccc21.
What is the InChIKey of 10-(5H-phenarsazinin-10-yloxy)-5H-phenarsazinine?
The InChIKey is SDMIOFRAYIQSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18As2N2O/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/h1-16,27-28H.
What are the key properties of 10-(5H-phenarsazinin-10-yloxy)-5H-phenarsazinine?
10-(5H-phenarsazinin-10-yloxy)-5H-phenarsazinine has a molecular weight of 500.27 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(5H-phenarsazinin-10-yloxy)-5H-phenarsazinine is sourced from PubChem (CID 20037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).