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

C26H18FN3 — CID 130288836

IUPAC3-[3-(2-fluorophenyl)phenyl]-1,5-diphenyl-1,2,4-triazole
SMILESFc1ccccc1-c1cccc(-c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1
InChIInChI=1S/C26H18FN3/c27-24-17-8-7-16-23(24)20-12-9-13-21(18-20)25-28-26(19-10-3-1-4-11-19)30(29-25)22-14-5-2-6-15-22/h1-18H
InChIKeyDSTMWJZWOCLYRF-UHFFFAOYSA-N
MW391.45 g/mol
LogP6.41
Rot. Bonds4

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

3-[3-(2-fluorophenyl)phenyl]-1,5-diphenyl-1,2,4-triazole (PubChem CID 130288836) has the molecular formula C26H18FN3 and a molecular weight of 391.45 g/mol. Its IUPAC name is 3-[3-(2-fluorophenyl)phenyl]-1,5-diphenyl-1,2,4-triazole.

Molecular Properties

Compound Name3-[3-(2-fluorophenyl)phenyl]-1,5-diphenyl-1,2,4-triazole
PubChem CID130288836
Molecular FormulaC26H18FN3
Molecular Weight391.45 g/mol
Exact Mass391.15
IUPAC Name3-[3-(2-fluorophenyl)phenyl]-1,5-diphenyl-1,2,4-triazole
SMILESFc1ccccc1-c1cccc(-c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1
InChIInChI=1S/C26H18FN3/c27-24-17-8-7-16-23(24)20-12-9-13-21(18-20)25-28-26(19-10-3-1-4-11-19)30(29-25)22-14-5-2-6-15-22/h1-18H
InChIKeyDSTMWJZWOCLYRF-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-(2-fluorophenyl)phenyl]-1,5-diphenyl-1,2,4-triazole?
The IUPAC name of 3-[3-(2-fluorophenyl)phenyl]-1,5-diphenyl-1,2,4-triazole (CID 130288836) is 3-[3-(2-fluorophenyl)phenyl]-1,5-diphenyl-1,2,4-triazole.
What is the SMILES notation for 3-[3-(2-fluorophenyl)phenyl]-1,5-diphenyl-1,2,4-triazole?
The canonical SMILES for 3-[3-(2-fluorophenyl)phenyl]-1,5-diphenyl-1,2,4-triazole is Fc1ccccc1-c1cccc(-c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1.
What is the InChIKey of 3-[3-(2-fluorophenyl)phenyl]-1,5-diphenyl-1,2,4-triazole?
The InChIKey is DSTMWJZWOCLYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FN3/c27-24-17-8-7-16-23(24)20-12-9-13-21(18-20)25-28-26(19-10-3-1-4-11-19)30(29-25)22-14-5-2-6-15-22/h1-18H.
What are the key properties of 3-[3-(2-fluorophenyl)phenyl]-1,5-diphenyl-1,2,4-triazole?
3-[3-(2-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-(2-fluorophenyl)phenyl]-1,5-diphenyl-1,2,4-triazole is sourced from PubChem (CID 130288836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).