3,5-bis(4-phenylphenyl)-1H-1,2,4-triazole

C26H19N3 — CID 150089010

IUPAC3,5-bis(4-phenylphenyl)-1H-1,2,4-triazole
SMILESc1ccc(-c2ccc(-c3n[nH]c(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1
InChIInChI=1S/C26H19N3/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-27-26(29-28-25)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H,(H,27,28,29)
InChIKeyDSVLNOQOIDNOSE-UHFFFAOYSA-N
MW373.46 g/mol
LogP6.47
Rot. Bonds4

About 3,5-bis(4-phenylphenyl)-1H-1,2,4-triazole

3,5-bis(4-phenylphenyl)-1H-1,2,4-triazole (PubChem CID 150089010) has the molecular formula C26H19N3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 3,5-bis(4-phenylphenyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name3,5-bis(4-phenylphenyl)-1H-1,2,4-triazole
PubChem CID150089010
Molecular FormulaC26H19N3
Molecular Weight373.46 g/mol
Exact Mass373.16
IUPAC Name3,5-bis(4-phenylphenyl)-1H-1,2,4-triazole
SMILESc1ccc(-c2ccc(-c3n[nH]c(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1
InChIInChI=1S/C26H19N3/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-27-26(29-28-25)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H,(H,27,28,29)
InChIKeyDSVLNOQOIDNOSE-UHFFFAOYSA-N
XLogP6.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.46
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,5-bis(4-phenylphenyl)-1H-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine
CID 4570745
4-(3-phenyl-1H-1,2,4-triazol-5-yl)benzonitrile
CID 61352383
3,5-diphenyl-1H-1,2,4-triazole;2H-triazole
CID 175519989
3,5-bis(5-phenyl-1H-1,2,4-triazol-3-yl)pyridine
CID 118529419
6-(5-phenyl-1H-1,2,4-triazol-3-yl)quinoxaline
CID 62873862
3-(3-bromo-4-chlorophenyl)-5-phenyl-1H-1,2,4-triazole
CID 107989225
5-phenyl-1H-1,2,4-triazol-3-amine
CID 139075773
5-(2-fluorophenyl)-3-phenyl-1H-1,2,4-triazole
CID 61343278
3-(3,5-dinitrophenyl)-5-phenyl-1H-1,2,4-triazole
CID 3089181
3-(1-methylpyrazol-4-yl)-5-phenyl-1H-1,2,4-triazole
CID 61343089
ethane;2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine
CID 143481678
5-(4-methoxyphenyl)-3-[3-[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole
CID 118529375

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-phenylphenyl)-1H-1,2,4-triazole?
The IUPAC name of 3,5-bis(4-phenylphenyl)-1H-1,2,4-triazole (CID 150089010) is 3,5-bis(4-phenylphenyl)-1H-1,2,4-triazole.
What is the SMILES notation for 3,5-bis(4-phenylphenyl)-1H-1,2,4-triazole?
The canonical SMILES for 3,5-bis(4-phenylphenyl)-1H-1,2,4-triazole is c1ccc(-c2ccc(-c3n[nH]c(-c4ccc(-c5ccccc5)cc4)n3)cc2)cc1.
What is the InChIKey of 3,5-bis(4-phenylphenyl)-1H-1,2,4-triazole?
The InChIKey is DSVLNOQOIDNOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-27-26(29-28-25)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H,(H,27,28,29).
What are the key properties of 3,5-bis(4-phenylphenyl)-1H-1,2,4-triazole?
3,5-bis(4-phenylphenyl)-1H-1,2,4-triazole has a molecular weight of 373.46 g/mol, XLogP of 6.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-phenylphenyl)-1H-1,2,4-triazole is sourced from PubChem (CID 150089010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).