4-phenyl-2-[3-(trifluoromethyl)phenyl]indeno[1,2-b]pyridin-5-one

C25H14F3NO — CID 167529329

IUPAC4-phenyl-2-[3-(trifluoromethyl)phenyl]indeno[1,2-b]pyridin-5-one
SMILESO=C1c2ccccc2-c2nc(-c3cccc(C(F)(F)F)c3)cc(-c3ccccc3)c21
InChIInChI=1S/C25H14F3NO/c26-25(27,28)17-10-6-9-16(13-17)21-14-20(15-7-2-1-3-8-15)22-23(29-21)18-11-4-5-12-19(18)24(22)30/h1-14H
InChIKeyWKWDTVZVBIXHPU-UHFFFAOYSA-N
MW401.39 g/mol
LogP6.65
Rot. Bonds2

About 4-phenyl-2-[3-(trifluoromethyl)phenyl]indeno[1,2-b]pyridin-5-one

4-phenyl-2-[3-(trifluoromethyl)phenyl]indeno[1,2-b]pyridin-5-one (PubChem CID 167529329) has the molecular formula C25H14F3NO and a molecular weight of 401.39 g/mol. Its IUPAC name is 4-phenyl-2-[3-(trifluoromethyl)phenyl]indeno[1,2-b]pyridin-5-one.

Molecular Properties

Compound Name4-phenyl-2-[3-(trifluoromethyl)phenyl]indeno[1,2-b]pyridin-5-one
PubChem CID167529329
Molecular FormulaC25H14F3NO
Molecular Weight401.39 g/mol
Exact Mass401.10
IUPAC Name4-phenyl-2-[3-(trifluoromethyl)phenyl]indeno[1,2-b]pyridin-5-one
SMILESO=C1c2ccccc2-c2nc(-c3cccc(C(F)(F)F)c3)cc(-c3ccccc3)c21
InChIInChI=1S/C25H14F3NO/c26-25(27,28)17-10-6-9-16(13-17)21-14-20(15-7-2-1-3-8-15)22-23(29-21)18-11-4-5-12-19(18)24(22)30/h1-14H
InChIKeyWKWDTVZVBIXHPU-UHFFFAOYSA-N
XLogP6.65
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.39
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[3-(trifluoromethyl)phenyl]indeno[1,2-b]pyridin-5-one?
The IUPAC name of 4-phenyl-2-[3-(trifluoromethyl)phenyl]indeno[1,2-b]pyridin-5-one (CID 167529329) is 4-phenyl-2-[3-(trifluoromethyl)phenyl]indeno[1,2-b]pyridin-5-one.
What is the SMILES notation for 4-phenyl-2-[3-(trifluoromethyl)phenyl]indeno[1,2-b]pyridin-5-one?
The canonical SMILES for 4-phenyl-2-[3-(trifluoromethyl)phenyl]indeno[1,2-b]pyridin-5-one is O=C1c2ccccc2-c2nc(-c3cccc(C(F)(F)F)c3)cc(-c3ccccc3)c21.
What is the InChIKey of 4-phenyl-2-[3-(trifluoromethyl)phenyl]indeno[1,2-b]pyridin-5-one?
The InChIKey is WKWDTVZVBIXHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14F3NO/c26-25(27,28)17-10-6-9-16(13-17)21-14-20(15-7-2-1-3-8-15)22-23(29-21)18-11-4-5-12-19(18)24(22)30/h1-14H.
What are the key properties of 4-phenyl-2-[3-(trifluoromethyl)phenyl]indeno[1,2-b]pyridin-5-one?
4-phenyl-2-[3-(trifluoromethyl)phenyl]indeno[1,2-b]pyridin-5-one has a molecular weight of 401.39 g/mol, XLogP of 6.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[3-(trifluoromethyl)phenyl]indeno[1,2-b]pyridin-5-one is sourced from PubChem (CID 167529329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).