2-benzyl-3-[3-(naphthalen-2-ylmethoxy)phenyl]-7-(trifluoromethyl)indazole

C32H23F3N2O — CID 67021220

IUPAC2-benzyl-3-[3-(naphthalen-2-ylmethoxy)phenyl]-7-(trifluoromethyl)indazole
SMILESFC(F)(F)c1cccc2c(-c3cccc(OCc4ccc5ccccc5c4)c3)n(Cc3ccccc3)nc12
InChIInChI=1S/C32H23F3N2O/c33-32(34,35)29-15-7-14-28-30(29)36-37(20-22-8-2-1-3-9-22)31(28)26-12-6-13-27(19-26)38-21-23-16-17-24-10-4-5-11-25(24)18-23/h1-19H,20-21H2
InChIKeyOGCCJGQUIFZJLC-UHFFFAOYSA-N
MW508.54 g/mol
LogP8.50
Rot. Bonds6

About 2-benzyl-3-[3-(naphthalen-2-ylmethoxy)phenyl]-7-(trifluoromethyl)indazole

2-benzyl-3-[3-(naphthalen-2-ylmethoxy)phenyl]-7-(trifluoromethyl)indazole (PubChem CID 67021220) has the molecular formula C32H23F3N2O and a molecular weight of 508.54 g/mol. Its IUPAC name is 2-benzyl-3-[3-(naphthalen-2-ylmethoxy)phenyl]-7-(trifluoromethyl)indazole.

Molecular Properties

Compound Name2-benzyl-3-[3-(naphthalen-2-ylmethoxy)phenyl]-7-(trifluoromethyl)indazole
PubChem CID67021220
Molecular FormulaC32H23F3N2O
Molecular Weight508.54 g/mol
Exact Mass508.18
IUPAC Name2-benzyl-3-[3-(naphthalen-2-ylmethoxy)phenyl]-7-(trifluoromethyl)indazole
SMILESFC(F)(F)c1cccc2c(-c3cccc(OCc4ccc5ccccc5c4)c3)n(Cc3ccccc3)nc12
InChIInChI=1S/C32H23F3N2O/c33-32(34,35)29-15-7-14-28-30(29)36-37(20-22-8-2-1-3-9-22)31(28)26-12-6-13-27(19-26)38-21-23-16-17-24-10-4-5-11-25(24)18-23/h1-19H,20-21H2
InChIKeyOGCCJGQUIFZJLC-UHFFFAOYSA-N
XLogP8.50
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.54
LogP ≤ 58.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-[3-(naphthalen-2-ylmethoxy)phenyl]-7-(trifluoromethyl)indazole?
The IUPAC name of 2-benzyl-3-[3-(naphthalen-2-ylmethoxy)phenyl]-7-(trifluoromethyl)indazole (CID 67021220) is 2-benzyl-3-[3-(naphthalen-2-ylmethoxy)phenyl]-7-(trifluoromethyl)indazole.
What is the SMILES notation for 2-benzyl-3-[3-(naphthalen-2-ylmethoxy)phenyl]-7-(trifluoromethyl)indazole?
The canonical SMILES for 2-benzyl-3-[3-(naphthalen-2-ylmethoxy)phenyl]-7-(trifluoromethyl)indazole is FC(F)(F)c1cccc2c(-c3cccc(OCc4ccc5ccccc5c4)c3)n(Cc3ccccc3)nc12.
What is the InChIKey of 2-benzyl-3-[3-(naphthalen-2-ylmethoxy)phenyl]-7-(trifluoromethyl)indazole?
The InChIKey is OGCCJGQUIFZJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23F3N2O/c33-32(34,35)29-15-7-14-28-30(29)36-37(20-22-8-2-1-3-9-22)31(28)26-12-6-13-27(19-26)38-21-23-16-17-24-10-4-5-11-25(24)18-23/h1-19H,20-21H2.
What are the key properties of 2-benzyl-3-[3-(naphthalen-2-ylmethoxy)phenyl]-7-(trifluoromethyl)indazole?
2-benzyl-3-[3-(naphthalen-2-ylmethoxy)phenyl]-7-(trifluoromethyl)indazole has a molecular weight of 508.54 g/mol, XLogP of 8.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-[3-(naphthalen-2-ylmethoxy)phenyl]-7-(trifluoromethyl)indazole is sourced from PubChem (CID 67021220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).