2,3,6-triphenylimidazo[2,1-b][1,3]selenazole

C23H16N2Se — CID 14721958

IUPAC2,3,6-triphenylimidazo[2,1-b][1,3]selenazole
SMILESc1ccc(-c2cn3c(-c4ccccc4)c(-c4ccccc4)[se]c3n2)cc1
InChIInChI=1S/C23H16N2Se/c1-4-10-17(11-5-1)20-16-25-21(18-12-6-2-7-13-18)22(26-23(25)24-20)19-14-8-3-9-15-19/h1-16H
InChIKeyQJPUOENHIRIRFA-UHFFFAOYSA-N
MW399.36 g/mol
LogP5.39
Rot. Bonds3

About 2,3,6-triphenylimidazo[2,1-b][1,3]selenazole

2,3,6-triphenylimidazo[2,1-b][1,3]selenazole (PubChem CID 14721958) has the molecular formula C23H16N2Se and a molecular weight of 399.36 g/mol. Its IUPAC name is 2,3,6-triphenylimidazo[2,1-b][1,3]selenazole.

Molecular Properties

Compound Name2,3,6-triphenylimidazo[2,1-b][1,3]selenazole
PubChem CID14721958
Molecular FormulaC23H16N2Se
Molecular Weight399.36 g/mol
Exact Mass400.05
IUPAC Name2,3,6-triphenylimidazo[2,1-b][1,3]selenazole
SMILESc1ccc(-c2cn3c(-c4ccccc4)c(-c4ccccc4)[se]c3n2)cc1
InChIInChI=1S/C23H16N2Se/c1-4-10-17(11-5-1)20-16-25-21(18-12-6-2-7-13-18)22(26-23(25)24-20)19-14-8-3-9-15-19/h1-16H
InChIKeyQJPUOENHIRIRFA-UHFFFAOYSA-N
XLogP5.39
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.36
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-phenylimidazo[2,1-b][1,3,4]selenadiazole
CID 621889
1-iodo-2-phenyl-[1,3]selenazolo[3,2-a]benzimidazole
CID 71663104
5-methyl-2-phenylimidazo[1,2-a]pyridine
CID 735395
3-methyl-6-phenylimidazo[2,1-b][1,3]oxazole
CID 10703102
4-ethyl-6,7-dimethyl-2-phenylimidazo[1,2-a]benzimidazole
CID 3603787
3,6-diphenyl-2-(2,4,6-trimethylphenyl)imidazo[2,1-b][1,3]thiazole
CID 139241039
3-methyl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]oxazole
CID 10540264
3-(4-bromophenyl)-2-ethyl-6-phenylimidazo[2,1-b][1,3]thiazole
CID 1180418
4-[3-(2,6-diphenyl-4-pyridinyl)-5-phenylphenyl]-2,6-diphenylpyridine
CID 59428704
2,6-diphenyl-5H-imidazo[1,2-b]pyrazole
CID 22239297
2-phenyl-4-propylimidazo[1,2-a]benzimidazole
CID 799630
2-phenylimidazo[1,2-f]phenanthridin-11-ol
CID 163435365

Frequently Asked Questions

What is the IUPAC name of 2,3,6-triphenylimidazo[2,1-b][1,3]selenazole?
The IUPAC name of 2,3,6-triphenylimidazo[2,1-b][1,3]selenazole (CID 14721958) is 2,3,6-triphenylimidazo[2,1-b][1,3]selenazole.
What is the SMILES notation for 2,3,6-triphenylimidazo[2,1-b][1,3]selenazole?
The canonical SMILES for 2,3,6-triphenylimidazo[2,1-b][1,3]selenazole is c1ccc(-c2cn3c(-c4ccccc4)c(-c4ccccc4)[se]c3n2)cc1.
What is the InChIKey of 2,3,6-triphenylimidazo[2,1-b][1,3]selenazole?
The InChIKey is QJPUOENHIRIRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2Se/c1-4-10-17(11-5-1)20-16-25-21(18-12-6-2-7-13-18)22(26-23(25)24-20)19-14-8-3-9-15-19/h1-16H.
What are the key properties of 2,3,6-triphenylimidazo[2,1-b][1,3]selenazole?
2,3,6-triphenylimidazo[2,1-b][1,3]selenazole has a molecular weight of 399.36 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-triphenylimidazo[2,1-b][1,3]selenazole is sourced from PubChem (CID 14721958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).