2-benzyl-3-[3-(naphthalen-1-ylmethoxy)phenyl]-7-(trifluoromethyl)indazole

C32H23F3N2O — CID 67021402

IUPAC2-benzyl-3-[3-(naphthalen-1-ylmethoxy)phenyl]-7-(trifluoromethyl)indazole
SMILESFC(F)(F)c1cccc2c(-c3cccc(OCc4cccc5ccccc45)c3)n(Cc3ccccc3)nc12
InChIInChI=1S/C32H23F3N2O/c33-32(34,35)29-18-8-17-28-30(29)36-37(20-22-9-2-1-3-10-22)31(28)24-13-7-15-26(19-24)38-21-25-14-6-12-23-11-4-5-16-27(23)25/h1-19H,20-21H2
InChIKeyXHVHVTIHFUPGAB-UHFFFAOYSA-N
MW508.54 g/mol
LogP8.50
Rot. Bonds6

About 2-benzyl-3-[3-(naphthalen-1-ylmethoxy)phenyl]-7-(trifluoromethyl)indazole

2-benzyl-3-[3-(naphthalen-1-ylmethoxy)phenyl]-7-(trifluoromethyl)indazole (PubChem CID 67021402) has the molecular formula C32H23F3N2O and a molecular weight of 508.54 g/mol. Its IUPAC name is 2-benzyl-3-[3-(naphthalen-1-ylmethoxy)phenyl]-7-(trifluoromethyl)indazole.

Molecular Properties

Compound Name2-benzyl-3-[3-(naphthalen-1-ylmethoxy)phenyl]-7-(trifluoromethyl)indazole
PubChem CID67021402
Molecular FormulaC32H23F3N2O
Molecular Weight508.54 g/mol
Exact Mass508.18
IUPAC Name2-benzyl-3-[3-(naphthalen-1-ylmethoxy)phenyl]-7-(trifluoromethyl)indazole
SMILESFC(F)(F)c1cccc2c(-c3cccc(OCc4cccc5ccccc45)c3)n(Cc3ccccc3)nc12
InChIInChI=1S/C32H23F3N2O/c33-32(34,35)29-18-8-17-28-30(29)36-37(20-22-9-2-1-3-10-22)31(28)24-13-7-15-26(19-24)38-21-25-14-6-12-23-11-4-5-16-27(23)25/h1-19H,20-21H2
InChIKeyXHVHVTIHFUPGAB-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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Related Compounds

2-benzyl-3-[3-(naphthalen-2-ylmethoxy)phenyl]-7-(trifluoromethyl)indazole
CID 67021220
2-benzyl-3-naphthalen-2-yl-7-(trifluoromethyl)indazole
CID 68816801
2-[(2,4-dimethylphenyl)methyl]-3-(3-phenylmethoxyphenyl)-7-(trifluoromethyl)indazole
CID 67021463
2-benzyl-3-[3-(2-tert-butylphenoxy)phenyl]-7-(trifluoromethyl)indazole
CID 67021169
2-benzyl-3-[3-[2-(trifluoromethoxy)phenoxy]phenyl]-7-(trifluoromethyl)indazole
CID 87239340
2-[(4-chloro-2-fluorophenyl)methyl]-3-[3-[(2-fluoro-3-methylphenyl)methoxy]phenyl]-7-(trifluoromethyl)indazole
CID 87240485
3-[3-[(2,5-dimethylphenyl)methoxy]phenyl]-2-[(2,4-dimethylphenyl)methyl]-7-(trifluoromethyl)indazole
CID 67021514
3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]-N-phenylaniline
CID 11690805
2-benzyl-3-(3,4-difluorophenyl)-7-(trifluoromethyl)indazole
CID 67021206
3-(3-chlorophenyl)-2-[(3-methoxyphenyl)methyl]-7-(trifluoromethyl)indazole
CID 67021143
2-[3-[3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]phenoxy]phenyl]-2-methylpropanoic acid
CID 67021135
2-[(4-methylphenyl)methyl]-3-phenyl-7-(trifluoromethyl)indazole
CID 67021408

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-[3-(naphthalen-1-ylmethoxy)phenyl]-7-(trifluoromethyl)indazole?
The IUPAC name of 2-benzyl-3-[3-(naphthalen-1-ylmethoxy)phenyl]-7-(trifluoromethyl)indazole (CID 67021402) is 2-benzyl-3-[3-(naphthalen-1-ylmethoxy)phenyl]-7-(trifluoromethyl)indazole.
What is the SMILES notation for 2-benzyl-3-[3-(naphthalen-1-ylmethoxy)phenyl]-7-(trifluoromethyl)indazole?
The canonical SMILES for 2-benzyl-3-[3-(naphthalen-1-ylmethoxy)phenyl]-7-(trifluoromethyl)indazole is FC(F)(F)c1cccc2c(-c3cccc(OCc4cccc5ccccc45)c3)n(Cc3ccccc3)nc12.
What is the InChIKey of 2-benzyl-3-[3-(naphthalen-1-ylmethoxy)phenyl]-7-(trifluoromethyl)indazole?
The InChIKey is XHVHVTIHFUPGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23F3N2O/c33-32(34,35)29-18-8-17-28-30(29)36-37(20-22-9-2-1-3-10-22)31(28)24-13-7-15-26(19-24)38-21-25-14-6-12-23-11-4-5-16-27(23)25/h1-19H,20-21H2.
What are the key properties of 2-benzyl-3-[3-(naphthalen-1-ylmethoxy)phenyl]-7-(trifluoromethyl)indazole?
2-benzyl-3-[3-(naphthalen-1-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-1-ylmethoxy)phenyl]-7-(trifluoromethyl)indazole is sourced from PubChem (CID 67021402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).