4-hexyl-2-phenyl-1,3-selenazole

C15H19NSe — CID 10685032

IUPAC4-hexyl-2-phenyl-1,3-selenazole
SMILESCCCCCCc1c[se]c(-c2ccccc2)n1
InChIInChI=1S/C15H19NSe/c1-2-3-4-8-11-14-12-17-15(16-14)13-9-6-5-7-10-13/h5-7,9-10,12H,2-4,8,11H2,1H3
InChIKeyYYGKUNZEUFYHPV-UHFFFAOYSA-N
MW292.28 g/mol
LogP3.93
Rot. Bonds6

About 4-hexyl-2-phenyl-1,3-selenazole

4-hexyl-2-phenyl-1,3-selenazole (PubChem CID 10685032) has the molecular formula C15H19NSe and a molecular weight of 292.28 g/mol. Its IUPAC name is 4-hexyl-2-phenyl-1,3-selenazole.

Molecular Properties

Compound Name4-hexyl-2-phenyl-1,3-selenazole
PubChem CID10685032
Molecular FormulaC15H19NSe
Molecular Weight292.28 g/mol
Exact Mass293.07
IUPAC Name4-hexyl-2-phenyl-1,3-selenazole
SMILESCCCCCCc1c[se]c(-c2ccccc2)n1
InChIInChI=1S/C15H19NSe/c1-2-3-4-8-11-14-12-17-15(16-14)13-9-6-5-7-10-13/h5-7,9-10,12H,2-4,8,11H2,1H3
InChIKeyYYGKUNZEUFYHPV-UHFFFAOYSA-N
XLogP3.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1'-biphenyl;hexadecane
CID 173308514
2,6-didodecylpyridine
CID 90943274
benzene;3-pentylisoquinoline
CID 175224692
4-ethyl-2-hexylquinoline
CID 143260250
2-nonylquinolin-4-olate
CID 162840210
2-hexyl-4-methylquinoline
CID 504074
2,6-dipentylpyridine
CID 58097448
2-octylazulene
CID 101406191
1-pentadecyl-4-phenylbenzene
CID 57166115
4-chloro-2-decylquinoline
CID 171487257
2-undecylpyridine
CID 66882765
2-phenyl-5-undecyl-1H-imidazole
CID 154198104

Frequently Asked Questions

What is the IUPAC name of 4-hexyl-2-phenyl-1,3-selenazole?
The IUPAC name of 4-hexyl-2-phenyl-1,3-selenazole (CID 10685032) is 4-hexyl-2-phenyl-1,3-selenazole.
What is the SMILES notation for 4-hexyl-2-phenyl-1,3-selenazole?
The canonical SMILES for 4-hexyl-2-phenyl-1,3-selenazole is CCCCCCc1c[se]c(-c2ccccc2)n1.
What is the InChIKey of 4-hexyl-2-phenyl-1,3-selenazole?
The InChIKey is YYGKUNZEUFYHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NSe/c1-2-3-4-8-11-14-12-17-15(16-14)13-9-6-5-7-10-13/h5-7,9-10,12H,2-4,8,11H2,1H3.
What are the key properties of 4-hexyl-2-phenyl-1,3-selenazole?
4-hexyl-2-phenyl-1,3-selenazole has a molecular weight of 292.28 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-2-phenyl-1,3-selenazole is sourced from PubChem (CID 10685032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).