1,5-diphenyl-3-(3-phenylphenyl)-1,2,4-triazole

C26H19N3 — CID 130288816

IUPAC1,5-diphenyl-3-(3-phenylphenyl)-1,2,4-triazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)n(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C26H19N3/c1-4-11-20(12-5-1)22-15-10-16-23(19-22)25-27-26(21-13-6-2-7-14-21)29(28-25)24-17-8-3-9-18-24/h1-19H
InChIKeyNIBSHMMEAAUBQK-UHFFFAOYSA-N
MW373.46 g/mol
LogP6.27
Rot. Bonds4

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

1,5-diphenyl-3-(3-phenylphenyl)-1,2,4-triazole (PubChem CID 130288816) has the molecular formula C26H19N3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 1,5-diphenyl-3-(3-phenylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name1,5-diphenyl-3-(3-phenylphenyl)-1,2,4-triazole
PubChem CID130288816
Molecular FormulaC26H19N3
Molecular Weight373.46 g/mol
Exact Mass373.16
IUPAC Name1,5-diphenyl-3-(3-phenylphenyl)-1,2,4-triazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccccc4)n(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C26H19N3/c1-4-11-20(12-5-1)22-15-10-16-23(19-22)25-27-26(21-13-6-2-7-14-21)29(28-25)24-17-8-3-9-18-24/h1-19H
InChIKeyNIBSHMMEAAUBQK-UHFFFAOYSA-N
XLogP6.27
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.46
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5-diphenyl-3-(3-phenylphenyl)-1,2,4-triazole?
The IUPAC name of 1,5-diphenyl-3-(3-phenylphenyl)-1,2,4-triazole (CID 130288816) is 1,5-diphenyl-3-(3-phenylphenyl)-1,2,4-triazole.
What is the SMILES notation for 1,5-diphenyl-3-(3-phenylphenyl)-1,2,4-triazole?
The canonical SMILES for 1,5-diphenyl-3-(3-phenylphenyl)-1,2,4-triazole is c1ccc(-c2cccc(-c3nc(-c4ccccc4)n(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 1,5-diphenyl-3-(3-phenylphenyl)-1,2,4-triazole?
The InChIKey is NIBSHMMEAAUBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3/c1-4-11-20(12-5-1)22-15-10-16-23(19-22)25-27-26(21-13-6-2-7-14-21)29(28-25)24-17-8-3-9-18-24/h1-19H.
What are the key properties of 1,5-diphenyl-3-(3-phenylphenyl)-1,2,4-triazole?
1,5-diphenyl-3-(3-phenylphenyl)-1,2,4-triazole has a molecular weight of 373.46 g/mol, XLogP of 6.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenyl-3-(3-phenylphenyl)-1,2,4-triazole is sourced from PubChem (CID 130288816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).