(3-pyridin-3-ylnaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanone

C23H14F3NO2 — CID 25129464

IUPAC(3-pyridin-3-ylnaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)(F)F)cc1)c1cc2ccccc2cc1-c1cccnc1
InChIInChI=1S/C23H14F3NO2/c24-23(25,26)29-19-9-7-15(8-10-19)22(28)21-13-17-5-2-1-4-16(17)12-20(21)18-6-3-11-27-14-18/h1-14H
InChIKeyNCJRHWNXUZJLDK-UHFFFAOYSA-N
MW393.36 g/mol
LogP6.03
Rot. Bonds4

About (3-pyridin-3-ylnaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanone

(3-pyridin-3-ylnaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanone (PubChem CID 25129464) has the molecular formula C23H14F3NO2 and a molecular weight of 393.36 g/mol. Its IUPAC name is (3-pyridin-3-ylnaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanone.

Molecular Properties

Compound Name(3-pyridin-3-ylnaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanone
PubChem CID25129464
Molecular FormulaC23H14F3NO2
Molecular Weight393.36 g/mol
Exact Mass393.10
IUPAC Name(3-pyridin-3-ylnaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanone
SMILESO=C(c1ccc(OC(F)(F)F)cc1)c1cc2ccccc2cc1-c1cccnc1
InChIInChI=1S/C23H14F3NO2/c24-23(25,26)29-19-9-7-15(8-10-19)22(28)21-13-17-5-2-1-4-16(17)12-20(21)18-6-3-11-27-14-18/h1-14H
InChIKeyNCJRHWNXUZJLDK-UHFFFAOYSA-N
XLogP6.03
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.36
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-pyridin-3-ylnaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

5-Methoxy-7H-dibenzo(de,h)quinolin-7-one
CID 15634400
Uccf-029
CID 3163532
2-Pyridin-3-yl-benzo[h]chromen-4-one
CID 323484
Wwl70
CID 17759121
Methyl 5-(6-methoxynaphthalen-2-yl)pyridine-3-carboxylate
CID 25034347
(E)-1-(6-Methoxynaphthalen-2-yl)-3-pyridin-3-ylprop-2-en-1-one
CID 13615899
3-[3-(4-Methoxybenzyl)naphthalen-2-yl]pyridine
CID 25130848
(2Z)-6-methoxy-2-(pyridin-2-ylmethylene)-3,4-dihydronaphthalen-1(2H)-one
CID 5803693
2-[2-(4-Methoxy-phenyl)-2-oxo-ethyl]-1-methyl-isoquinolinium
CID 16681820
1-(4-Methoxyphenyl)-3-(3-pyridinyl)-2-propen-1-one
CID 5717022
2-[2-(4-phenylpiperidin-1-yl)ethyl]-6-(pyridin-4-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 18794673
2-[2-(4-phenylpiperidin-1-yl)ethyl]-6-(pyridin-3-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-one
CID 18794679

Frequently Asked Questions

What is the IUPAC name of (3-pyridin-3-ylnaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanone?
The IUPAC name of (3-pyridin-3-ylnaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanone (CID 25129464) is (3-pyridin-3-ylnaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanone.
What is the SMILES notation for (3-pyridin-3-ylnaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanone?
The canonical SMILES for (3-pyridin-3-ylnaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanone is O=C(c1ccc(OC(F)(F)F)cc1)c1cc2ccccc2cc1-c1cccnc1.
What is the InChIKey of (3-pyridin-3-ylnaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanone?
The InChIKey is NCJRHWNXUZJLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F3NO2/c24-23(25,26)29-19-9-7-15(8-10-19)22(28)21-13-17-5-2-1-4-16(17)12-20(21)18-6-3-11-27-14-18/h1-14H.
What are the key properties of (3-pyridin-3-ylnaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanone?
(3-pyridin-3-ylnaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanone has a molecular weight of 393.36 g/mol, XLogP of 6.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridin-3-ylnaphthalen-2-yl)-[4-(trifluoromethoxy)phenyl]methanone is sourced from PubChem (CID 25129464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).