7-phenylindeno[1,2-b]pyridin-5-one

C36H22N2O2 — CID 139191774

IUPAC7-phenylindeno[1,2-b]pyridin-5-one
SMILESO=C1c2cc(-c3ccccc3)ccc2-c2ncccc21.O=C1c2cc(-c3ccccc3)ccc2-c2ncccc21
InChIInChI=1S/2C18H11NO/c2*20-18-15-7-4-10-19-17(15)14-9-8-13(11-16(14)18)12-5-2-1-3-6-12/h2*1-11H
InChIKeyJZFIBQDALHMXIW-UHFFFAOYSA-N
MW514.58 g/mol
LogP7.92
Rot. Bonds2

About 7-phenylindeno[1,2-b]pyridin-5-one

7-phenylindeno[1,2-b]pyridin-5-one (PubChem CID 139191774) has the molecular formula C36H22N2O2 and a molecular weight of 514.58 g/mol. Its IUPAC name is 7-phenylindeno[1,2-b]pyridin-5-one.

Molecular Properties

Compound Name7-phenylindeno[1,2-b]pyridin-5-one
PubChem CID139191774
Molecular FormulaC36H22N2O2
Molecular Weight514.58 g/mol
Exact Mass514.17
IUPAC Name7-phenylindeno[1,2-b]pyridin-5-one
SMILESO=C1c2cc(-c3ccccc3)ccc2-c2ncccc21.O=C1c2cc(-c3ccccc3)ccc2-c2ncccc21
InChIInChI=1S/2C18H11NO/c2*20-18-15-7-4-10-19-17(15)14-9-8-13(11-16(14)18)12-5-2-1-3-6-12/h2*1-11H
InChIKeyJZFIBQDALHMXIW-UHFFFAOYSA-N
XLogP7.92
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.58
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Onychine
CID 72584
2-Amino-4-phenyl-8-(pyridin-3-ylmethyl)indeno[1,2-d]pyrimidin-5-one
CID 25242240
5H-Indeno(1,2-b)pyridin-5-one
CID 77489
2-Amino-4-phenyl-8-(pyridine-3-carbonyl)indeno[1,2-d]pyrimidin-5-one
CID 56954253
(E)-1-(1,2-dihydroacenaphthylen-3-yl)-3-[1-[2-(1,2-dihydroacenaphthylen-3-yl)-2-oxoethyl]pyridin-1-ium-4-yl]prop-2-en-1-one bromide
CID 13634471
1,2-Dihydroacenaphthylen-5-yl[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone
CID 16190575
1,2-Dihydro-5-acenaphthylenyl[1-(3-pyridinylmethyl)-3-piperidinyl]methanone
CID 16190865
1,2-Dihydro-5-acenaphthylenyl{1-[(2-methyl-3-pyridinyl)carbonyl]-3-piperidinyl}methanone
CID 16192213
3-(2-Pyridyl)-5H-indeno[1,2-c]pyridazin-5-one
CID 5287157
1,2-Dihydroacenaphthylen-5-yl-[1-(2-pyridinylmethyl)-3-piperidinyl]methanone
CID 16190298
1,2-Dihydroacenaphthylen-5-yl[1-(pyridin-3-ylcarbonyl)piperidin-3-yl]methanone
CID 16191864
6-Phenylindeno[2,1-c][1,5]naphthyridin-7-one
CID 127030945

Frequently Asked Questions

What is the IUPAC name of 7-phenylindeno[1,2-b]pyridin-5-one?
The IUPAC name of 7-phenylindeno[1,2-b]pyridin-5-one (CID 139191774) is 7-phenylindeno[1,2-b]pyridin-5-one.
What is the SMILES notation for 7-phenylindeno[1,2-b]pyridin-5-one?
The canonical SMILES for 7-phenylindeno[1,2-b]pyridin-5-one is O=C1c2cc(-c3ccccc3)ccc2-c2ncccc21.O=C1c2cc(-c3ccccc3)ccc2-c2ncccc21.
What is the InChIKey of 7-phenylindeno[1,2-b]pyridin-5-one?
The InChIKey is JZFIBQDALHMXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H11NO/c2*20-18-15-7-4-10-19-17(15)14-9-8-13(11-16(14)18)12-5-2-1-3-6-12/h2*1-11H.
What are the key properties of 7-phenylindeno[1,2-b]pyridin-5-one?
7-phenylindeno[1,2-b]pyridin-5-one has a molecular weight of 514.58 g/mol, XLogP of 7.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenylindeno[1,2-b]pyridin-5-one is sourced from PubChem (CID 139191774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).