Molecule ID: 613500

IUPAC Name: 4,5-diphenyl-2H-triazole

Description: The molecule is a member of the class of triazoles that is 2H-1,2,3-triazole carrying two phenyl substituents at positions 4 and 5. It is a triazole and a ring assembly. It derives from a 2H-1,2,3-triazole.

SMILES: c1ccc(-c2nn[nH]c2-c2ccccc2)cc1

SELFIES: [C][=C][C][=C][Branch1][S][C][N][=N][NH1][C][=Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][P]

InChI: InChI=1S/C14H11N3/c1-3-7-11(8-4-1)13-14(16-17-15-13)12-9-5-2-6-10-12/h1-10H,(H,15,16,17)

Molecular Properties:
- Polar Surface Area: 41.6 Ų
- LogP: 3.7