3-methyl-4,5-diphenyl-1,2-selenazole

C16H13NSe — CID 153406880

IUPAC3-methyl-4,5-diphenyl-1,2-selenazole
SMILESCc1n[se]c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C16H13NSe/c1-12-15(13-8-4-2-5-9-13)16(18-17-12)14-10-6-3-7-11-14/h2-11H,1H3
InChIKeyLXIGOWDXIJIUOW-UHFFFAOYSA-N
MW298.25 g/mol
LogP3.78
Rot. Bonds2

About 3-methyl-4,5-diphenyl-1,2-selenazole

3-methyl-4,5-diphenyl-1,2-selenazole (PubChem CID 153406880) has the molecular formula C16H13NSe and a molecular weight of 298.25 g/mol. Its IUPAC name is 3-methyl-4,5-diphenyl-1,2-selenazole.

Molecular Properties

Compound Name3-methyl-4,5-diphenyl-1,2-selenazole
PubChem CID153406880
Molecular FormulaC16H13NSe
Molecular Weight298.25 g/mol
Exact Mass299.02
IUPAC Name3-methyl-4,5-diphenyl-1,2-selenazole
SMILESCc1n[se]c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C16H13NSe/c1-12-15(13-8-4-2-5-9-13)16(18-17-12)14-10-6-3-7-11-14/h2-11H,1H3
InChIKeyLXIGOWDXIJIUOW-UHFFFAOYSA-N
XLogP3.78
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.25
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,4-Diphenyl-1,2,5-thiadiazole
CID 585569
3-Phenyl-1,2-benzoisoselenazole
CID 621129
3-Methyl-1,2-benzoselenazole
CID 21826482
1,2,5-Selenadiazole, 3,4-diphenyl-
CID 602988
3-Methyl-4-phenyl-1,2,5-selenadiazole
CID 101663610
3-Ethyl-1,2-benzoselenazole
CID 11127530
4,5-Diphenyl-1,2,3-selenadiazole
CID 11161930
5-Methyl-4-phenylselenadiazole
CID 134897569
3-(4-Fluorophenyl)-4,5,6,7-tetrahydro-1,2-benzoselenazole
CID 153406931
3-(4-Fluorophenyl)-5-phenyl-1,2-selenazole
CID 155679821
3-Phenyl-5-[4-(trifluoromethyl)phenyl]-1,2-selenazole
CID 155679823
5-(4-Fluorophenyl)-3-phenyl-1,2-selenazole
CID 155679824

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4,5-diphenyl-1,2-selenazole?
The IUPAC name of 3-methyl-4,5-diphenyl-1,2-selenazole (CID 153406880) is 3-methyl-4,5-diphenyl-1,2-selenazole.
What is the SMILES notation for 3-methyl-4,5-diphenyl-1,2-selenazole?
The canonical SMILES for 3-methyl-4,5-diphenyl-1,2-selenazole is Cc1n[se]c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 3-methyl-4,5-diphenyl-1,2-selenazole?
The InChIKey is LXIGOWDXIJIUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NSe/c1-12-15(13-8-4-2-5-9-13)16(18-17-12)14-10-6-3-7-11-14/h2-11H,1H3.
What are the key properties of 3-methyl-4,5-diphenyl-1,2-selenazole?
3-methyl-4,5-diphenyl-1,2-selenazole has a molecular weight of 298.25 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4,5-diphenyl-1,2-selenazole is sourced from PubChem (CID 153406880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).