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

C25H14F3NO2 — CID 167529334

IUPAC4-phenyl-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]pyridin-5-one
SMILESO=C1c2ccccc2-c2nc(-c3ccc(OC(F)(F)F)cc3)cc(-c3ccccc3)c21
InChIInChI=1S/C25H14F3NO2/c26-25(27,28)31-17-12-10-16(11-13-17)21-14-20(15-6-2-1-3-7-15)22-23(29-21)18-8-4-5-9-19(18)24(22)30/h1-14H
InChIKeyGLPAXXMDOODYDN-UHFFFAOYSA-N
MW417.39 g/mol
LogP6.53
Rot. Bonds3

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

4-phenyl-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]pyridin-5-one (PubChem CID 167529334) has the molecular formula C25H14F3NO2 and a molecular weight of 417.39 g/mol. Its IUPAC name is 4-phenyl-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]pyridin-5-one.

Molecular Properties

Compound Name4-phenyl-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]pyridin-5-one
PubChem CID167529334
Molecular FormulaC25H14F3NO2
Molecular Weight417.39 g/mol
Exact Mass417.10
IUPAC Name4-phenyl-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]pyridin-5-one
SMILESO=C1c2ccccc2-c2nc(-c3ccc(OC(F)(F)F)cc3)cc(-c3ccccc3)c21
InChIInChI=1S/C25H14F3NO2/c26-25(27,28)31-17-12-10-16(11-13-17)21-14-20(15-6-2-1-3-7-15)22-23(29-21)18-8-4-5-9-19(18)24(22)30/h1-14H
InChIKeyGLPAXXMDOODYDN-UHFFFAOYSA-N
XLogP6.53
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.39
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]pyridin-5-one?
The IUPAC name of 4-phenyl-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]pyridin-5-one (CID 167529334) is 4-phenyl-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]pyridin-5-one.
What is the SMILES notation for 4-phenyl-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]pyridin-5-one?
The canonical SMILES for 4-phenyl-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]pyridin-5-one is O=C1c2ccccc2-c2nc(-c3ccc(OC(F)(F)F)cc3)cc(-c3ccccc3)c21.
What is the InChIKey of 4-phenyl-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]pyridin-5-one?
The InChIKey is GLPAXXMDOODYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14F3NO2/c26-25(27,28)31-17-12-10-16(11-13-17)21-14-20(15-6-2-1-3-7-15)22-23(29-21)18-8-4-5-9-19(18)24(22)30/h1-14H.
What are the key properties of 4-phenyl-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]pyridin-5-one?
4-phenyl-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]pyridin-5-one has a molecular weight of 417.39 g/mol, XLogP of 6.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[4-(trifluoromethoxy)phenyl]indeno[1,2-b]pyridin-5-one is sourced from PubChem (CID 167529334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).