2-benzyl-3-naphthalen-2-yl-7-(trifluoromethyl)indazole

C25H17F3N2 — CID 68816801

IUPAC2-benzyl-3-naphthalen-2-yl-7-(trifluoromethyl)indazole
SMILESFC(F)(F)c1cccc2c(-c3ccc4ccccc4c3)n(Cc3ccccc3)nc12
InChIInChI=1S/C25H17F3N2/c26-25(27,28)22-12-6-11-21-23(22)29-30(16-17-7-2-1-3-8-17)24(21)20-14-13-18-9-4-5-10-19(18)15-20/h1-15H,16H2
InChIKeyFRESRKRGSWPZSQ-UHFFFAOYSA-N
MW402.42 g/mol
LogP6.92
Rot. Bonds3

About 2-benzyl-3-naphthalen-2-yl-7-(trifluoromethyl)indazole

2-benzyl-3-naphthalen-2-yl-7-(trifluoromethyl)indazole (PubChem CID 68816801) has the molecular formula C25H17F3N2 and a molecular weight of 402.42 g/mol. Its IUPAC name is 2-benzyl-3-naphthalen-2-yl-7-(trifluoromethyl)indazole.

Molecular Properties

Compound Name2-benzyl-3-naphthalen-2-yl-7-(trifluoromethyl)indazole
PubChem CID68816801
Molecular FormulaC25H17F3N2
Molecular Weight402.42 g/mol
Exact Mass402.13
IUPAC Name2-benzyl-3-naphthalen-2-yl-7-(trifluoromethyl)indazole
SMILESFC(F)(F)c1cccc2c(-c3ccc4ccccc4c3)n(Cc3ccccc3)nc12
InChIInChI=1S/C25H17F3N2/c26-25(27,28)22-12-6-11-21-23(22)29-30(16-17-7-2-1-3-8-17)24(21)20-14-13-18-9-4-5-10-19(18)15-20/h1-15H,16H2
InChIKeyFRESRKRGSWPZSQ-UHFFFAOYSA-N
XLogP6.92
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.42
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-naphthalen-2-yl-7-(trifluoromethyl)indazole?
The IUPAC name of 2-benzyl-3-naphthalen-2-yl-7-(trifluoromethyl)indazole (CID 68816801) is 2-benzyl-3-naphthalen-2-yl-7-(trifluoromethyl)indazole.
What is the SMILES notation for 2-benzyl-3-naphthalen-2-yl-7-(trifluoromethyl)indazole?
The canonical SMILES for 2-benzyl-3-naphthalen-2-yl-7-(trifluoromethyl)indazole is FC(F)(F)c1cccc2c(-c3ccc4ccccc4c3)n(Cc3ccccc3)nc12.
What is the InChIKey of 2-benzyl-3-naphthalen-2-yl-7-(trifluoromethyl)indazole?
The InChIKey is FRESRKRGSWPZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F3N2/c26-25(27,28)22-12-6-11-21-23(22)29-30(16-17-7-2-1-3-8-17)24(21)20-14-13-18-9-4-5-10-19(18)15-20/h1-15H,16H2.
What are the key properties of 2-benzyl-3-naphthalen-2-yl-7-(trifluoromethyl)indazole?
2-benzyl-3-naphthalen-2-yl-7-(trifluoromethyl)indazole has a molecular weight of 402.42 g/mol, XLogP of 6.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-naphthalen-2-yl-7-(trifluoromethyl)indazole is sourced from PubChem (CID 68816801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).