2,3-diphenyl-8-[3-(trifluoromethyl)phenyl]-6H-1,6-naphthyridin-5-one

C27H17F3N2O — CID 173110698

IUPAC2,3-diphenyl-8-[3-(trifluoromethyl)phenyl]-6H-1,6-naphthyridin-5-one
SMILESO=c1[nH]cc(-c2cccc(C(F)(F)F)c2)c2nc(-c3ccccc3)c(-c3ccccc3)cc12
InChIInChI=1S/C27H17F3N2O/c28-27(29,30)20-13-7-12-19(14-20)23-16-31-26(33)22-15-21(17-8-3-1-4-9-17)24(32-25(22)23)18-10-5-2-6-11-18/h1-16H,(H,31,33)
InChIKeyHETPIRKRIBZSCW-UHFFFAOYSA-N
MW442.44 g/mol
LogP6.94
Rot. Bonds3

About 2,3-diphenyl-8-[3-(trifluoromethyl)phenyl]-6H-1,6-naphthyridin-5-one

2,3-diphenyl-8-[3-(trifluoromethyl)phenyl]-6H-1,6-naphthyridin-5-one (PubChem CID 173110698) has the molecular formula C27H17F3N2O and a molecular weight of 442.44 g/mol. Its IUPAC name is 2,3-diphenyl-8-[3-(trifluoromethyl)phenyl]-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2,3-diphenyl-8-[3-(trifluoromethyl)phenyl]-6H-1,6-naphthyridin-5-one
PubChem CID173110698
Molecular FormulaC27H17F3N2O
Molecular Weight442.44 g/mol
Exact Mass442.13
IUPAC Name2,3-diphenyl-8-[3-(trifluoromethyl)phenyl]-6H-1,6-naphthyridin-5-one
SMILESO=c1[nH]cc(-c2cccc(C(F)(F)F)c2)c2nc(-c3ccccc3)c(-c3ccccc3)cc12
InChIInChI=1S/C27H17F3N2O/c28-27(29,30)20-13-7-12-19(14-20)23-16-31-26(33)22-15-21(17-8-3-1-4-9-17)24(32-25(22)23)18-10-5-2-6-11-18/h1-16H,(H,31,33)
InChIKeyHETPIRKRIBZSCW-UHFFFAOYSA-N
XLogP6.94
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.44
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-(3,5-dichlorophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one
CID 173038170
8-(4-nitrophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one
CID 173038098
2-[4-(aminomethyl)phenyl]-8-(3,5-dimethylphenyl)-3-phenyl-6H-1,6-naphthyridin-5-one;hydrochloride
CID 173037997
2,3-diphenyl-8-thiophen-2-yl-6H-1,6-naphthyridin-5-one
CID 173038182
[4-[5-oxo-3-phenyl-8-(3-sulfanylphenyl)-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524555
2-[4-(aminomethyl)phenyl]-3-phenyl-8-pyridin-3-yl-6H-1,6-naphthyridin-5-one
CID 58524399
[4-[8-(3-acetylphenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524164
2-[4-(aminomethyl)phenyl]-3-phenyl-8-thiophen-2-yl-6H-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid
CID 171928748
2-[4-(aminomethyl)phenyl]-8-(4-methylthiophen-3-yl)-3-phenyl-6H-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid
CID 171929567
[4-[8-(3-methylsulfonylphenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524679
3-[2-[4-(aminomethyl)phenyl]-5-oxo-3-phenyl-6H-1,6-naphthyridin-8-yl]-N-methylbenzamide
CID 58524283
[4-[8-(furan-3-yl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524717

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-8-[3-(trifluoromethyl)phenyl]-6H-1,6-naphthyridin-5-one?
The IUPAC name of 2,3-diphenyl-8-[3-(trifluoromethyl)phenyl]-6H-1,6-naphthyridin-5-one (CID 173110698) is 2,3-diphenyl-8-[3-(trifluoromethyl)phenyl]-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 2,3-diphenyl-8-[3-(trifluoromethyl)phenyl]-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 2,3-diphenyl-8-[3-(trifluoromethyl)phenyl]-6H-1,6-naphthyridin-5-one is O=c1[nH]cc(-c2cccc(C(F)(F)F)c2)c2nc(-c3ccccc3)c(-c3ccccc3)cc12.
What is the InChIKey of 2,3-diphenyl-8-[3-(trifluoromethyl)phenyl]-6H-1,6-naphthyridin-5-one?
The InChIKey is HETPIRKRIBZSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17F3N2O/c28-27(29,30)20-13-7-12-19(14-20)23-16-31-26(33)22-15-21(17-8-3-1-4-9-17)24(32-25(22)23)18-10-5-2-6-11-18/h1-16H,(H,31,33).
What are the key properties of 2,3-diphenyl-8-[3-(trifluoromethyl)phenyl]-6H-1,6-naphthyridin-5-one?
2,3-diphenyl-8-[3-(trifluoromethyl)phenyl]-6H-1,6-naphthyridin-5-one has a molecular weight of 442.44 g/mol, XLogP of 6.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-8-[3-(trifluoromethyl)phenyl]-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 173110698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).