2-benzyl-3-(4-phenoxyphenyl)-7-(trifluoromethyl)indazole

C27H19F3N2O — CID 11503180

IUPAC2-benzyl-3-(4-phenoxyphenyl)-7-(trifluoromethyl)indazole
SMILESFC(F)(F)c1cccc2c(-c3ccc(Oc4ccccc4)cc3)n(Cc3ccccc3)nc12
InChIInChI=1S/C27H19F3N2O/c28-27(29,30)24-13-7-12-23-25(24)31-32(18-19-8-3-1-4-9-19)26(23)20-14-16-22(17-15-20)33-21-10-5-2-6-11-21/h1-17H,18H2
InChIKeyXUHIXWBOCDOAQN-UHFFFAOYSA-N
MW444.46 g/mol
LogP7.56
Rot. Bonds5

About 2-benzyl-3-(4-phenoxyphenyl)-7-(trifluoromethyl)indazole

2-benzyl-3-(4-phenoxyphenyl)-7-(trifluoromethyl)indazole (PubChem CID 11503180) has the molecular formula C27H19F3N2O and a molecular weight of 444.46 g/mol. Its IUPAC name is 2-benzyl-3-(4-phenoxyphenyl)-7-(trifluoromethyl)indazole.

Molecular Properties

Compound Name2-benzyl-3-(4-phenoxyphenyl)-7-(trifluoromethyl)indazole
PubChem CID11503180
Molecular FormulaC27H19F3N2O
Molecular Weight444.46 g/mol
Exact Mass444.14
IUPAC Name2-benzyl-3-(4-phenoxyphenyl)-7-(trifluoromethyl)indazole
SMILESFC(F)(F)c1cccc2c(-c3ccc(Oc4ccccc4)cc3)n(Cc3ccccc3)nc12
InChIInChI=1S/C27H19F3N2O/c28-27(29,30)24-13-7-12-23-25(24)31-32(18-19-8-3-1-4-9-19)26(23)20-14-16-22(17-15-20)33-21-10-5-2-6-11-21/h1-17H,18H2
InChIKeyXUHIXWBOCDOAQN-UHFFFAOYSA-N
XLogP7.56
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.46
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-benzyl-3-(4-phenoxyphenyl)-7-(trifluoromethyl)indazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-(4-phenoxyphenyl)-7-(trifluoromethyl)indazole?
The IUPAC name of 2-benzyl-3-(4-phenoxyphenyl)-7-(trifluoromethyl)indazole (CID 11503180) is 2-benzyl-3-(4-phenoxyphenyl)-7-(trifluoromethyl)indazole.
What is the SMILES notation for 2-benzyl-3-(4-phenoxyphenyl)-7-(trifluoromethyl)indazole?
The canonical SMILES for 2-benzyl-3-(4-phenoxyphenyl)-7-(trifluoromethyl)indazole is FC(F)(F)c1cccc2c(-c3ccc(Oc4ccccc4)cc3)n(Cc3ccccc3)nc12.
What is the InChIKey of 2-benzyl-3-(4-phenoxyphenyl)-7-(trifluoromethyl)indazole?
The InChIKey is XUHIXWBOCDOAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F3N2O/c28-27(29,30)24-13-7-12-23-25(24)31-32(18-19-8-3-1-4-9-19)26(23)20-14-16-22(17-15-20)33-21-10-5-2-6-11-21/h1-17H,18H2.
What are the key properties of 2-benzyl-3-(4-phenoxyphenyl)-7-(trifluoromethyl)indazole?
2-benzyl-3-(4-phenoxyphenyl)-7-(trifluoromethyl)indazole has a molecular weight of 444.46 g/mol, XLogP of 7.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-(4-phenoxyphenyl)-7-(trifluoromethyl)indazole is sourced from PubChem (CID 11503180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).