1-(3-fluorophenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole

C26H18FN3 — CID 130289524

IUPAC1-(3-fluorophenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole
SMILESFc1cccc(-n2nc(-c3cccc(-c4ccccc4)c3)nc2-c2ccccc2)c1
InChIInChI=1S/C26H18FN3/c27-23-15-8-16-24(18-23)30-26(20-11-5-2-6-12-20)28-25(29-30)22-14-7-13-21(17-22)19-9-3-1-4-10-19/h1-18H
InChIKeyBUXUVAHQSQGSEB-UHFFFAOYSA-N
MW391.45 g/mol
LogP6.41
Rot. Bonds4

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

1-(3-fluorophenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole (PubChem CID 130289524) has the molecular formula C26H18FN3 and a molecular weight of 391.45 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(3-fluorophenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole
PubChem CID130289524
Molecular FormulaC26H18FN3
Molecular Weight391.45 g/mol
Exact Mass391.15
IUPAC Name1-(3-fluorophenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole
SMILESFc1cccc(-n2nc(-c3cccc(-c4ccccc4)c3)nc2-c2ccccc2)c1
InChIInChI=1S/C26H18FN3/c27-23-15-8-16-24(18-23)30-26(20-11-5-2-6-12-20)28-25(29-30)22-14-7-13-21(17-22)19-9-3-1-4-10-19/h1-18H
InChIKeyBUXUVAHQSQGSEB-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 1-(3-fluorophenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole?
The IUPAC name of 1-(3-fluorophenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole (CID 130289524) is 1-(3-fluorophenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole.
What is the SMILES notation for 1-(3-fluorophenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole?
The canonical SMILES for 1-(3-fluorophenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole is Fc1cccc(-n2nc(-c3cccc(-c4ccccc4)c3)nc2-c2ccccc2)c1.
What is the InChIKey of 1-(3-fluorophenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole?
The InChIKey is BUXUVAHQSQGSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FN3/c27-23-15-8-16-24(18-23)30-26(20-11-5-2-6-12-20)28-25(29-30)22-14-7-13-21(17-22)19-9-3-1-4-10-19/h1-18H.
What are the key properties of 1-(3-fluorophenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole?
1-(3-fluorophenyl)-5-phenyl-3-(3-phenylphenyl)-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 1-(3-fluorophenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole is sourced from PubChem (CID 130289524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).