4,5-bis(4-methylphenyl)selenadiazole

C16H14N2Se — CID 151578564

IUPAC4,5-bis(4-methylphenyl)selenadiazole
SMILESCc1ccc(-c2nn[se]c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C16H14N2Se/c1-11-3-7-13(8-4-11)15-16(19-18-17-15)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKeyQFZGXKNUAPYMCU-UHFFFAOYSA-N
MW313.26 g/mol
LogP3.48
Rot. Bonds2

About 4,5-bis(4-methylphenyl)selenadiazole

4,5-bis(4-methylphenyl)selenadiazole (PubChem CID 151578564) has the molecular formula C16H14N2Se and a molecular weight of 313.26 g/mol. Its IUPAC name is 4,5-bis(4-methylphenyl)selenadiazole.

Molecular Properties

Compound Name4,5-bis(4-methylphenyl)selenadiazole
PubChem CID151578564
Molecular FormulaC16H14N2Se
Molecular Weight313.26 g/mol
Exact Mass314.03
IUPAC Name4,5-bis(4-methylphenyl)selenadiazole
SMILESCc1ccc(-c2nn[se]c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C16H14N2Se/c1-11-3-7-13(8-4-11)15-16(19-18-17-15)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKeyQFZGXKNUAPYMCU-UHFFFAOYSA-N
XLogP3.48
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.26
LogP ≤ 53.48
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

4,5-Diphenyl-1,2,3-thiadiazole
CID 220169
4,5-Diphenyl-1,2,3-triazole
CID 613500
1,2,3-Selenadiazole, 4-phenyl-
CID 141232
4,5-Dihydrobenzo[e][1,2,3]benzoselenadiazole
CID 3011112
4,5-Diphenyl-1H-1,2,3-triazol-1-amine
CID 271096
Pyridazine, 3,6-bis(4-methylphenyl)-
CID 12230350
(4S)-4-[(R)-phenyl-[4-(p-tolyl)selenadiazol-5-yl]methyl]-4,5,6,7-tetrahydro-1,2,3-benzoselenadiazole
CID 56666224
(4S)-4-[(R)-(4-phenylselenadiazol-5-yl)-(p-tolyl)methyl]-4,5,6,7-tetrahydro-1,2,3-benzoselenadiazole
CID 56668310
2-Methyl-4,5-diphenyltriazole
CID 12207436
4,5-Bis(4-methylphenyl)-2-phenyltriazole
CID 12519717
3-Phenyl-6-p-tolyl-pyridazine
CID 6408779
4,5-bis[4-(trifluoromethyl)phenyl]-2H-triazole
CID 162410979

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-methylphenyl)selenadiazole?
The IUPAC name of 4,5-bis(4-methylphenyl)selenadiazole (CID 151578564) is 4,5-bis(4-methylphenyl)selenadiazole.
What is the SMILES notation for 4,5-bis(4-methylphenyl)selenadiazole?
The canonical SMILES for 4,5-bis(4-methylphenyl)selenadiazole is Cc1ccc(-c2nn[se]c2-c2ccc(C)cc2)cc1.
What is the InChIKey of 4,5-bis(4-methylphenyl)selenadiazole?
The InChIKey is QFZGXKNUAPYMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2Se/c1-11-3-7-13(8-4-11)15-16(19-18-17-15)14-9-5-12(2)6-10-14/h3-10H,1-2H3.
What are the key properties of 4,5-bis(4-methylphenyl)selenadiazole?
4,5-bis(4-methylphenyl)selenadiazole has a molecular weight of 313.26 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-methylphenyl)selenadiazole is sourced from PubChem (CID 151578564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).