4-(1,3-benzoselenazol-2-yl)benzonitrile

C14H8N2Se — CID 135043076

IUPAC4-(1,3-benzoselenazol-2-yl)benzonitrile
SMILESN#Cc1ccc(-c2nc3ccccc3[se]2)cc1
InChIInChI=1S/C14H8N2Se/c15-9-10-5-7-11(8-6-10)14-16-12-3-1-2-4-13(12)17-14/h1-8H
InChIKeyINCFXECGEMFHKQ-UHFFFAOYSA-N
MW283.19 g/mol
LogP2.83
Rot. Bonds1

About 4-(1,3-benzoselenazol-2-yl)benzonitrile

4-(1,3-benzoselenazol-2-yl)benzonitrile (PubChem CID 135043076) has the molecular formula C14H8N2Se and a molecular weight of 283.19 g/mol. Its IUPAC name is 4-(1,3-benzoselenazol-2-yl)benzonitrile.

Molecular Properties

Compound Name4-(1,3-benzoselenazol-2-yl)benzonitrile
PubChem CID135043076
Molecular FormulaC14H8N2Se
Molecular Weight283.19 g/mol
Exact Mass283.99
IUPAC Name4-(1,3-benzoselenazol-2-yl)benzonitrile
SMILESN#Cc1ccc(-c2nc3ccccc3[se]2)cc1
InChIInChI=1S/C14H8N2Se/c15-9-10-5-7-11(8-6-10)14-16-12-3-1-2-4-13(12)17-14/h1-8H
InChIKeyINCFXECGEMFHKQ-UHFFFAOYSA-N
XLogP2.83
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 52.83
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

1,3-benzoselenazole-2-carbonitrile
CID 87875766
4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380
4-(3-methylquinoxalin-2-yl)benzonitrile
CID 58090541
4-(4-phenylquinolin-2-yl)benzonitrile;hydrochloride
CID 45354718
4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzonitrile
CID 155476468
azulene-6-carbonitrile
CID 91533837
4-(3-formylquinoxalin-2-yl)benzonitrile
CID 71559845
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-[4-[4-[4-(2-phenylquinazolin-4-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile
CID 155283530
[4-[4-[4-(4-cyanophenyl)phenyl]naphthalen-1-yl]phenyl]boronic acid
CID 142751458
4-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]phenyl]benzonitrile
CID 146326937
4-(2,3,5-triphenylpyrazino[2,3-k]phenanthridin-7-yl)benzonitrile
CID 167064325

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzoselenazol-2-yl)benzonitrile?
The IUPAC name of 4-(1,3-benzoselenazol-2-yl)benzonitrile (CID 135043076) is 4-(1,3-benzoselenazol-2-yl)benzonitrile.
What is the SMILES notation for 4-(1,3-benzoselenazol-2-yl)benzonitrile?
The canonical SMILES for 4-(1,3-benzoselenazol-2-yl)benzonitrile is N#Cc1ccc(-c2nc3ccccc3[se]2)cc1.
What is the InChIKey of 4-(1,3-benzoselenazol-2-yl)benzonitrile?
The InChIKey is INCFXECGEMFHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2Se/c15-9-10-5-7-11(8-6-10)14-16-12-3-1-2-4-13(12)17-14/h1-8H.
What are the key properties of 4-(1,3-benzoselenazol-2-yl)benzonitrile?
4-(1,3-benzoselenazol-2-yl)benzonitrile has a molecular weight of 283.19 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoselenazol-2-yl)benzonitrile is sourced from PubChem (CID 135043076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).