2-(4-bromophenyl)-5-phenyl-1,3,4-selenadiazole

C14H9BrN2Se — CID 42605306

IUPAC2-(4-bromophenyl)-5-phenyl-1,3,4-selenadiazole
SMILESBrc1ccc(-c2nnc(-c3ccccc3)[se]2)cc1
InChIInChI=1S/C14H9BrN2Se/c15-12-8-6-11(7-9-12)14-17-16-13(18-14)10-4-2-1-3-5-10/h1-9H
InChIKeyOBKPTDYHQGIORB-UHFFFAOYSA-N
MW364.10 g/mol
LogP3.63
Rot. Bonds2

About 2-(4-bromophenyl)-5-phenyl-1,3,4-selenadiazole

2-(4-bromophenyl)-5-phenyl-1,3,4-selenadiazole (PubChem CID 42605306) has the molecular formula C14H9BrN2Se and a molecular weight of 364.10 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-phenyl-1,3,4-selenadiazole.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-phenyl-1,3,4-selenadiazole
PubChem CID42605306
Molecular FormulaC14H9BrN2Se
Molecular Weight364.10 g/mol
Exact Mass363.91
IUPAC Name2-(4-bromophenyl)-5-phenyl-1,3,4-selenadiazole
SMILESBrc1ccc(-c2nnc(-c3ccccc3)[se]2)cc1
InChIInChI=1S/C14H9BrN2Se/c15-12-8-6-11(7-9-12)14-17-16-13(18-14)10-4-2-1-3-5-10/h1-9H
InChIKeyOBKPTDYHQGIORB-UHFFFAOYSA-N
XLogP3.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.10
LogP ≤ 53.63
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-(4-methylphenyl)-5-phenyl-1,3,4-selenadiazole
CID 42605305
1-(4-bromophenyl)-3-[4-[4-[3-(4-bromophenyl)-5-(4-phenylphenyl)phenyl]phenyl]phenyl]-5-(4-phenylphenyl)benzene
CID 102428633
2,3-bis(4-bromophenyl)-1,4-diphenyltriphenylene
CID 142683584
1-bromo-4-phenylbenzene;N-methylmethanamine
CID 66862098
10-(4-bromophenyl)-2,9-diphenylanthracene
CID 130365947
2-(4-bromophenyl)-1,4-diphenylnaphthalene
CID 141481933
1-bromo-4-(4-iodophenyl)benzene;1-bromo-4-phenylbenzene
CID 162245084
4-(4-bromophenyl)-5-phenyl-2H-triazole
CID 134910162
1-(4-bromophenyl)-3-phenyl-2-benzofuran
CID 59538643
2-(4-bromophenyl)-5-phenylthiophene
CID 10313583
1-[bis(4-bromophenyl)-(4-phenylphenyl)methyl]-4-bromobenzene
CID 176748708
2-(4-bromophenyl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 166009866

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-phenyl-1,3,4-selenadiazole?
The IUPAC name of 2-(4-bromophenyl)-5-phenyl-1,3,4-selenadiazole (CID 42605306) is 2-(4-bromophenyl)-5-phenyl-1,3,4-selenadiazole.
What is the SMILES notation for 2-(4-bromophenyl)-5-phenyl-1,3,4-selenadiazole?
The canonical SMILES for 2-(4-bromophenyl)-5-phenyl-1,3,4-selenadiazole is Brc1ccc(-c2nnc(-c3ccccc3)[se]2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-5-phenyl-1,3,4-selenadiazole?
The InChIKey is OBKPTDYHQGIORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2Se/c15-12-8-6-11(7-9-12)14-17-16-13(18-14)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 2-(4-bromophenyl)-5-phenyl-1,3,4-selenadiazole?
2-(4-bromophenyl)-5-phenyl-1,3,4-selenadiazole has a molecular weight of 364.10 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-phenyl-1,3,4-selenadiazole is sourced from PubChem (CID 42605306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).