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

C15H12N2Se — CID 42605305

IUPAC2-(4-methylphenyl)-5-phenyl-1,3,4-selenadiazole
SMILESCc1ccc(-c2nnc(-c3ccccc3)[se]2)cc1
InChIInChI=1S/C15H12N2Se/c1-11-7-9-13(10-8-11)15-17-16-14(18-15)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyBXMWWYPFQRFKFD-UHFFFAOYSA-N
MW299.24 g/mol
LogP3.18
Rot. Bonds2

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

2-(4-methylphenyl)-5-phenyl-1,3,4-selenadiazole (PubChem CID 42605305) has the molecular formula C15H12N2Se and a molecular weight of 299.24 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-phenyl-1,3,4-selenadiazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-phenyl-1,3,4-selenadiazole
PubChem CID42605305
Molecular FormulaC15H12N2Se
Molecular Weight299.24 g/mol
Exact Mass300.02
IUPAC Name2-(4-methylphenyl)-5-phenyl-1,3,4-selenadiazole
SMILESCc1ccc(-c2nnc(-c3ccccc3)[se]2)cc1
InChIInChI=1S/C15H12N2Se/c1-11-7-9-13(10-8-11)15-17-16-14(18-15)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyBXMWWYPFQRFKFD-UHFFFAOYSA-N
XLogP3.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 53.18
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-bromophenyl)-5-phenyl-1,3,4-selenadiazole
CID 42605306
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661
ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863
ethane;1-methyl-4-phenylbenzene;toluene
CID 159803578
ethane;1-methyl-4-phenylbenzene;toluene
CID 157456524
ethane;methane;1-methyl-4-phenylbenzene
CID 143611995
9-(4-methylphenyl)-10-phenylanthracene
CID 631292
1,1'-biphenyl;toluene
CID 18366440
3-(4-methylphenyl)-2-phenylphenanthro[9,10-b]pyrazine
CID 59090361
benzene;bis(1,4-xylene)
CID 159472747
1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene
CID 142935427
dimethylphosphane;1-methyl-4-phenylbenzene
CID 143300886

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-phenyl-1,3,4-selenadiazole?
The IUPAC name of 2-(4-methylphenyl)-5-phenyl-1,3,4-selenadiazole (CID 42605305) is 2-(4-methylphenyl)-5-phenyl-1,3,4-selenadiazole.
What is the SMILES notation for 2-(4-methylphenyl)-5-phenyl-1,3,4-selenadiazole?
The canonical SMILES for 2-(4-methylphenyl)-5-phenyl-1,3,4-selenadiazole is Cc1ccc(-c2nnc(-c3ccccc3)[se]2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-phenyl-1,3,4-selenadiazole?
The InChIKey is BXMWWYPFQRFKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2Se/c1-11-7-9-13(10-8-11)15-17-16-14(18-15)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 2-(4-methylphenyl)-5-phenyl-1,3,4-selenadiazole?
2-(4-methylphenyl)-5-phenyl-1,3,4-selenadiazole has a molecular weight of 299.24 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-phenyl-1,3,4-selenadiazole is sourced from PubChem (CID 42605305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).