4-[4-(5-oxo-2-pyridin-2-ylindeno[1,2-b]pyridin-4-yl)phenyl]-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one

C40H22N4O2 — CID 102085468

IUPAC4-[4-(5-oxo-2-pyridin-2-ylindeno[1,2-b]pyridin-4-yl)phenyl]-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one
SMILESO=C1c2ccccc2-c2nc(-c3ccccn3)cc(-c3ccc(-c4cc(-c5ccccn5)nc5c4C(=O)c4ccccc4-5)cc3)c21
InChIInChI=1S/C40H22N4O2/c45-39-27-11-3-1-9-25(27)37-35(39)29(21-33(43-37)31-13-5-7-19-41-31)23-15-17-24(18-16-23)30-22-34(32-14-6-8-20-42-32)44-38-26-10-2-4-12-28(26)40(46)36(30)38/h1-22H
InChIKeyRTPWALLYMITUKV-UHFFFAOYSA-N
MW590.64 g/mol
LogP8.36
Rot. Bonds4

About 4-[4-(5-oxo-2-pyridin-2-ylindeno[1,2-b]pyridin-4-yl)phenyl]-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one

4-[4-(5-oxo-2-pyridin-2-ylindeno[1,2-b]pyridin-4-yl)phenyl]-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one (PubChem CID 102085468) has the molecular formula C40H22N4O2 and a molecular weight of 590.64 g/mol. Its IUPAC name is 4-[4-(5-oxo-2-pyridin-2-ylindeno[1,2-b]pyridin-4-yl)phenyl]-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one.

Molecular Properties

Compound Name4-[4-(5-oxo-2-pyridin-2-ylindeno[1,2-b]pyridin-4-yl)phenyl]-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one
PubChem CID102085468
Molecular FormulaC40H22N4O2
Molecular Weight590.64 g/mol
Exact Mass590.17
IUPAC Name4-[4-(5-oxo-2-pyridin-2-ylindeno[1,2-b]pyridin-4-yl)phenyl]-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one
SMILESO=C1c2ccccc2-c2nc(-c3ccccn3)cc(-c3ccc(-c4cc(-c5ccccn5)nc5c4C(=O)c4ccccc4-5)cc3)c21
InChIInChI=1S/C40H22N4O2/c45-39-27-11-3-1-9-25(27)37-35(39)29(21-33(43-37)31-13-5-7-19-41-31)23-15-17-24(18-16-23)30-22-34(32-14-6-8-20-42-32)44-38-26-10-2-4-12-28(26)40(46)36(30)38/h1-22H
InChIKeyRTPWALLYMITUKV-UHFFFAOYSA-N
XLogP8.36
TPSA85.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.64
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[4-(5-oxo-2-pyridin-2-ylindeno[1,2-b]pyridin-4-yl)phenyl]-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one with MolForge

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Related Compounds

3-(2-Pyridyl)-5H-indeno[1,2-c]pyridazin-5-one
CID 5287157
6-Phenylindeno[2,1-c][1,5]naphthyridin-7-one
CID 127030945
6-[4-(Trifluoromethyl)phenyl]indeno[2,1-c][1,5]naphthyridin-7-one
CID 127034035
6-(3-Fluorophenyl)indeno[2,1-c][1,5]naphthyridin-7-one
CID 127034036
5-Pyridin-2-ylmethyl-5,7,8-tetrahydroindeno[1,2-b]indole-9,10-dione
CID 24204513
CID 139162752
CID 139162752
1-[4-[1-(9H-fluoren-9-yl)-2-pyridin-2-ylethyl]phenyl]-2-pyridin-2-ylethanone
CID 154338239
9-(1,2-Dibenzoylethylidene)-4-azafluorene
CID 3869812
9,9-Diphenacyl-4-azafluorene
CID 14119030
1,10-Phenanthroline-5,6-dione;bis(2-pyridin-2-ylpyridine);ruthenium(2+)
CID 15772851
4-(4-Bromophenyl)-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one
CID 102155629
12h-Indeno[2,1-b][4,7]phenanthrolin-12-one
CID 129741085

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-oxo-2-pyridin-2-ylindeno[1,2-b]pyridin-4-yl)phenyl]-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one?
The IUPAC name of 4-[4-(5-oxo-2-pyridin-2-ylindeno[1,2-b]pyridin-4-yl)phenyl]-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one (CID 102085468) is 4-[4-(5-oxo-2-pyridin-2-ylindeno[1,2-b]pyridin-4-yl)phenyl]-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one.
What is the SMILES notation for 4-[4-(5-oxo-2-pyridin-2-ylindeno[1,2-b]pyridin-4-yl)phenyl]-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one?
The canonical SMILES for 4-[4-(5-oxo-2-pyridin-2-ylindeno[1,2-b]pyridin-4-yl)phenyl]-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one is O=C1c2ccccc2-c2nc(-c3ccccn3)cc(-c3ccc(-c4cc(-c5ccccn5)nc5c4C(=O)c4ccccc4-5)cc3)c21.
What is the InChIKey of 4-[4-(5-oxo-2-pyridin-2-ylindeno[1,2-b]pyridin-4-yl)phenyl]-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one?
The InChIKey is RTPWALLYMITUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H22N4O2/c45-39-27-11-3-1-9-25(27)37-35(39)29(21-33(43-37)31-13-5-7-19-41-31)23-15-17-24(18-16-23)30-22-34(32-14-6-8-20-42-32)44-38-26-10-2-4-12-28(26)40(46)36(30)38/h1-22H.
What are the key properties of 4-[4-(5-oxo-2-pyridin-2-ylindeno[1,2-b]pyridin-4-yl)phenyl]-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one?
4-[4-(5-oxo-2-pyridin-2-ylindeno[1,2-b]pyridin-4-yl)phenyl]-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one has a molecular weight of 590.64 g/mol, XLogP of 8.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-oxo-2-pyridin-2-ylindeno[1,2-b]pyridin-4-yl)phenyl]-2-pyridin-2-ylindeno[1,2-b]pyridin-5-one is sourced from PubChem (CID 102085468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).