3-[3-(3-fluorophenyl)phenyl]-1,5-diphenyl-1,2,4-triazole

C26H18FN3 — CID 130289125

IUPAC3-[3-(3-fluorophenyl)phenyl]-1,5-diphenyl-1,2,4-triazole
SMILESFc1cccc(-c2cccc(-c3nc(-c4ccccc4)n(-c4ccccc4)n3)c2)c1
InChIInChI=1S/C26H18FN3/c27-23-14-8-12-21(18-23)20-11-7-13-22(17-20)25-28-26(19-9-3-1-4-10-19)30(29-25)24-15-5-2-6-16-24/h1-18H
InChIKeyJQJGHZAHBAAGCB-UHFFFAOYSA-N
MW391.45 g/mol
LogP6.41
Rot. Bonds4

About 3-[3-(3-fluorophenyl)phenyl]-1,5-diphenyl-1,2,4-triazole

3-[3-(3-fluorophenyl)phenyl]-1,5-diphenyl-1,2,4-triazole (PubChem CID 130289125) has the molecular formula C26H18FN3 and a molecular weight of 391.45 g/mol. Its IUPAC name is 3-[3-(3-fluorophenyl)phenyl]-1,5-diphenyl-1,2,4-triazole.

Molecular Properties

Compound Name3-[3-(3-fluorophenyl)phenyl]-1,5-diphenyl-1,2,4-triazole
PubChem CID130289125
Molecular FormulaC26H18FN3
Molecular Weight391.45 g/mol
Exact Mass391.15
IUPAC Name3-[3-(3-fluorophenyl)phenyl]-1,5-diphenyl-1,2,4-triazole
SMILESFc1cccc(-c2cccc(-c3nc(-c4ccccc4)n(-c4ccccc4)n3)c2)c1
InChIInChI=1S/C26H18FN3/c27-23-14-8-12-21(18-23)20-11-7-13-22(17-20)25-28-26(19-9-3-1-4-10-19)30(29-25)24-15-5-2-6-16-24/h1-18H
InChIKeyJQJGHZAHBAAGCB-UHFFFAOYSA-N
XLogP6.41
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.45
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-fluorophenyl)phenyl]-1,5-diphenyl-1,2,4-triazole?
The IUPAC name of 3-[3-(3-fluorophenyl)phenyl]-1,5-diphenyl-1,2,4-triazole (CID 130289125) is 3-[3-(3-fluorophenyl)phenyl]-1,5-diphenyl-1,2,4-triazole.
What is the SMILES notation for 3-[3-(3-fluorophenyl)phenyl]-1,5-diphenyl-1,2,4-triazole?
The canonical SMILES for 3-[3-(3-fluorophenyl)phenyl]-1,5-diphenyl-1,2,4-triazole is Fc1cccc(-c2cccc(-c3nc(-c4ccccc4)n(-c4ccccc4)n3)c2)c1.
What is the InChIKey of 3-[3-(3-fluorophenyl)phenyl]-1,5-diphenyl-1,2,4-triazole?
The InChIKey is JQJGHZAHBAAGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FN3/c27-23-14-8-12-21(18-23)20-11-7-13-22(17-20)25-28-26(19-9-3-1-4-10-19)30(29-25)24-15-5-2-6-16-24/h1-18H.
What are the key properties of 3-[3-(3-fluorophenyl)phenyl]-1,5-diphenyl-1,2,4-triazole?
3-[3-(3-fluorophenyl)phenyl]-1,5-diphenyl-1,2,4-triazole has a molecular weight of 391.45 g/mol, XLogP of 6.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-fluorophenyl)phenyl]-1,5-diphenyl-1,2,4-triazole is sourced from PubChem (CID 130289125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).