4-(4-nitrophenyl)-2-phenyl-1,3-selenazole

C15H10N2O2Se — CID 11484289

IUPAC4-(4-nitrophenyl)-2-phenyl-1,3-selenazole
SMILESO=[N+]([O-])c1ccc(-c2c[se]c(-c3ccccc3)n2)cc1
InChIInChI=1S/C15H10N2O2Se/c18-17(19)13-8-6-11(7-9-13)14-10-20-15(16-14)12-4-2-1-3-5-12/h1-10H
InChIKeyBSCFQKZLVPEBFZ-UHFFFAOYSA-N
MW329.22 g/mol
LogP3.38
Rot. Bonds3

About 4-(4-nitrophenyl)-2-phenyl-1,3-selenazole

4-(4-nitrophenyl)-2-phenyl-1,3-selenazole (PubChem CID 11484289) has the molecular formula C15H10N2O2Se and a molecular weight of 329.22 g/mol. Its IUPAC name is 4-(4-nitrophenyl)-2-phenyl-1,3-selenazole.

Molecular Properties

Compound Name4-(4-nitrophenyl)-2-phenyl-1,3-selenazole
PubChem CID11484289
Molecular FormulaC15H10N2O2Se
Molecular Weight329.22 g/mol
Exact Mass329.99
IUPAC Name4-(4-nitrophenyl)-2-phenyl-1,3-selenazole
SMILESO=[N+]([O-])c1ccc(-c2c[se]c(-c3ccccc3)n2)cc1
InChIInChI=1S/C15H10N2O2Se/c18-17(19)13-8-6-11(7-9-13)14-10-20-15(16-14)12-4-2-1-3-5-12/h1-10H
InChIKeyBSCFQKZLVPEBFZ-UHFFFAOYSA-N
XLogP3.38
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.22
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-Benzyl-2,5-dimethyl-3-(4-nitrophenyl)pyrrole
CID 23030352
2,6-Dimethyl-4-(4-nitrophenyl)pyridine
CID 257968
4-(4-Nitrophenyl)-2,6-diphenylpyridine
CID 631783
2,6-Bis(3-nitrostyryl)pyridine
CID 6047556
2,4-Diphenyl-1,3-selenazole
CID 11196856
Selenazole, 4-(4-nitrophenyl)-
CID 11253789
(T-4)-[2-[(3,5-Dimethyl-2H-pyrrol-2-ylidene-kappaN)(4-nitrophenyl)methyl]-3,5-dimethyl-1H-pyrrolato-kappaN]difluoroboron
CID 44471706
Pentafluoro-[4-[4-(3-nitrophenyl)-1,3-selenazol-2-yl]phenyl]-lambda6-sulfane
CID 102334751
Pentafluoro-[4-[4-(4-nitrophenyl)-1,3-selenazol-2-yl]phenyl]-lambda6-sulfane
CID 102334756
2,2-Difluoro-4,12-dimethyl-8-(4-nitrophenyl)-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene
CID 139043180
2,5-dimethyl-1-(4-methyl-3-nitrophenyl)-1H-pyrrole
CID 880888
Nzpjhzhdwughdo-uhfffaoysa-
CID 11416609

Frequently Asked Questions

What is the IUPAC name of 4-(4-nitrophenyl)-2-phenyl-1,3-selenazole?
The IUPAC name of 4-(4-nitrophenyl)-2-phenyl-1,3-selenazole (CID 11484289) is 4-(4-nitrophenyl)-2-phenyl-1,3-selenazole.
What is the SMILES notation for 4-(4-nitrophenyl)-2-phenyl-1,3-selenazole?
The canonical SMILES for 4-(4-nitrophenyl)-2-phenyl-1,3-selenazole is O=[N+]([O-])c1ccc(-c2c[se]c(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-(4-nitrophenyl)-2-phenyl-1,3-selenazole?
The InChIKey is BSCFQKZLVPEBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2Se/c18-17(19)13-8-6-11(7-9-13)14-10-20-15(16-14)12-4-2-1-3-5-12/h1-10H.
What are the key properties of 4-(4-nitrophenyl)-2-phenyl-1,3-selenazole?
4-(4-nitrophenyl)-2-phenyl-1,3-selenazole has a molecular weight of 329.22 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitrophenyl)-2-phenyl-1,3-selenazole is sourced from PubChem (CID 11484289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).