3-(2-phenylphenyl)-1,2-benzoselenazole

C19H13NSe — CID 141060587

IUPAC3-(2-phenylphenyl)-1,2-benzoselenazole
SMILESc1ccc(-c2ccccc2-c2n[se]c3ccccc23)cc1
InChIInChI=1S/C19H13NSe/c1-2-8-14(9-3-1)15-10-4-5-11-16(15)19-17-12-6-7-13-18(17)21-20-19/h1-13H
InChIKeyBJAUILMMMBMJHY-UHFFFAOYSA-N
MW334.28 g/mol
LogP4.63
Rot. Bonds2

About 3-(2-phenylphenyl)-1,2-benzoselenazole

3-(2-phenylphenyl)-1,2-benzoselenazole (PubChem CID 141060587) has the molecular formula C19H13NSe and a molecular weight of 334.28 g/mol. Its IUPAC name is 3-(2-phenylphenyl)-1,2-benzoselenazole.

Molecular Properties

Compound Name3-(2-phenylphenyl)-1,2-benzoselenazole
PubChem CID141060587
Molecular FormulaC19H13NSe
Molecular Weight334.28 g/mol
Exact Mass335.02
IUPAC Name3-(2-phenylphenyl)-1,2-benzoselenazole
SMILESc1ccc(-c2ccccc2-c2n[se]c3ccccc23)cc1
InChIInChI=1S/C19H13NSe/c1-2-8-14(9-3-1)15-10-4-5-11-16(15)19-17-12-6-7-13-18(17)21-20-19/h1-13H
InChIKeyBJAUILMMMBMJHY-UHFFFAOYSA-N
XLogP4.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-(2-phenylphenyl)-1,2-benzoselenazole?
The IUPAC name of 3-(2-phenylphenyl)-1,2-benzoselenazole (CID 141060587) is 3-(2-phenylphenyl)-1,2-benzoselenazole.
What is the SMILES notation for 3-(2-phenylphenyl)-1,2-benzoselenazole?
The canonical SMILES for 3-(2-phenylphenyl)-1,2-benzoselenazole is c1ccc(-c2ccccc2-c2n[se]c3ccccc23)cc1.
What is the InChIKey of 3-(2-phenylphenyl)-1,2-benzoselenazole?
The InChIKey is BJAUILMMMBMJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NSe/c1-2-8-14(9-3-1)15-10-4-5-11-16(15)19-17-12-6-7-13-18(17)21-20-19/h1-13H.
What are the key properties of 3-(2-phenylphenyl)-1,2-benzoselenazole?
3-(2-phenylphenyl)-1,2-benzoselenazole has a molecular weight of 334.28 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylphenyl)-1,2-benzoselenazole is sourced from PubChem (CID 141060587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).