2-dibenzotellurophen-2-yl-3-phenylquinoxaline

C26H16N2Te — CID 168739989

IUPAC2-dibenzotellurophen-2-yl-3-phenylquinoxaline
SMILESc1ccc(-c2nc3ccccc3nc2-c2ccc3[te]c4ccccc4c3c2)cc1
InChIInChI=1S/C26H16N2Te/c1-2-8-17(9-3-1)25-26(28-22-12-6-5-11-21(22)27-25)18-14-15-24-20(16-18)19-10-4-7-13-23(19)29-24/h1-16H
InChIKeyHVAFTOSVQVATLP-UHFFFAOYSA-N
MW484.03 g/mol
LogP6.33
Rot. Bonds2

About 2-dibenzotellurophen-2-yl-3-phenylquinoxaline

2-dibenzotellurophen-2-yl-3-phenylquinoxaline (PubChem CID 168739989) has the molecular formula C26H16N2Te and a molecular weight of 484.03 g/mol. Its IUPAC name is 2-dibenzotellurophen-2-yl-3-phenylquinoxaline.

Molecular Properties

Compound Name2-dibenzotellurophen-2-yl-3-phenylquinoxaline
PubChem CID168739989
Molecular FormulaC26H16N2Te
Molecular Weight484.03 g/mol
Exact Mass486.04
IUPAC Name2-dibenzotellurophen-2-yl-3-phenylquinoxaline
SMILESc1ccc(-c2nc3ccccc3nc2-c2ccc3[te]c4ccccc4c3c2)cc1
InChIInChI=1S/C26H16N2Te/c1-2-8-17(9-3-1)25-26(28-22-12-6-5-11-21(22)27-25)18-14-15-24-20(16-18)19-10-4-7-13-23(19)29-24/h1-16H
InChIKeyHVAFTOSVQVATLP-UHFFFAOYSA-N
XLogP6.33
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.03
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-dibenzotellurophen-2-yl-3-phenylquinoxaline?
The IUPAC name of 2-dibenzotellurophen-2-yl-3-phenylquinoxaline (CID 168739989) is 2-dibenzotellurophen-2-yl-3-phenylquinoxaline.
What is the SMILES notation for 2-dibenzotellurophen-2-yl-3-phenylquinoxaline?
The canonical SMILES for 2-dibenzotellurophen-2-yl-3-phenylquinoxaline is c1ccc(-c2nc3ccccc3nc2-c2ccc3[te]c4ccccc4c3c2)cc1.
What is the InChIKey of 2-dibenzotellurophen-2-yl-3-phenylquinoxaline?
The InChIKey is HVAFTOSVQVATLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N2Te/c1-2-8-17(9-3-1)25-26(28-22-12-6-5-11-21(22)27-25)18-14-15-24-20(16-18)19-10-4-7-13-23(19)29-24/h1-16H.
What are the key properties of 2-dibenzotellurophen-2-yl-3-phenylquinoxaline?
2-dibenzotellurophen-2-yl-3-phenylquinoxaline has a molecular weight of 484.03 g/mol, XLogP of 6.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzotellurophen-2-yl-3-phenylquinoxaline is sourced from PubChem (CID 168739989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).