2-(5-phenacylindeno[1,2-b]pyridin-5-yl)-1-phenylethanone

C28H21NO2 — CID 14119030

IUPAC2-(5-phenacylindeno[1,2-b]pyridin-5-yl)-1-phenylethanone
SMILESO=C(CC1(CC(=O)c2ccccc2)c2ccccc2-c2ncccc21)c1ccccc1
InChIInChI=1S/C28H21NO2/c30-25(20-10-3-1-4-11-20)18-28(19-26(31)21-12-5-2-6-13-21)23-15-8-7-14-22(23)27-24(28)16-9-17-29-27/h1-17H,18-19H2
InChIKeyJTPYOOSCSQZVLH-UHFFFAOYSA-N
MW403.48 g/mol
LogP5.89
Rot. Bonds6

About 2-(5-phenacylindeno[1,2-b]pyridin-5-yl)-1-phenylethanone

2-(5-phenacylindeno[1,2-b]pyridin-5-yl)-1-phenylethanone (PubChem CID 14119030) has the molecular formula C28H21NO2 and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-(5-phenacylindeno[1,2-b]pyridin-5-yl)-1-phenylethanone.

Molecular Properties

Compound Name2-(5-phenacylindeno[1,2-b]pyridin-5-yl)-1-phenylethanone
PubChem CID14119030
Molecular FormulaC28H21NO2
Molecular Weight403.48 g/mol
Exact Mass403.16
IUPAC Name2-(5-phenacylindeno[1,2-b]pyridin-5-yl)-1-phenylethanone
SMILESO=C(CC1(CC(=O)c2ccccc2)c2ccccc2-c2ncccc21)c1ccccc1
InChIInChI=1S/C28H21NO2/c30-25(20-10-3-1-4-11-20)18-28(19-26(31)21-12-5-2-6-13-21)23-15-8-7-14-22(23)27-24(28)16-9-17-29-27/h1-17H,18-19H2
InChIKeyJTPYOOSCSQZVLH-UHFFFAOYSA-N
XLogP5.89
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-phenacylindeno[1,2-b]pyridin-5-yl)-1-phenylethanone?
The IUPAC name of 2-(5-phenacylindeno[1,2-b]pyridin-5-yl)-1-phenylethanone (CID 14119030) is 2-(5-phenacylindeno[1,2-b]pyridin-5-yl)-1-phenylethanone.
What is the SMILES notation for 2-(5-phenacylindeno[1,2-b]pyridin-5-yl)-1-phenylethanone?
The canonical SMILES for 2-(5-phenacylindeno[1,2-b]pyridin-5-yl)-1-phenylethanone is O=C(CC1(CC(=O)c2ccccc2)c2ccccc2-c2ncccc21)c1ccccc1.
What is the InChIKey of 2-(5-phenacylindeno[1,2-b]pyridin-5-yl)-1-phenylethanone?
The InChIKey is JTPYOOSCSQZVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21NO2/c30-25(20-10-3-1-4-11-20)18-28(19-26(31)21-12-5-2-6-13-21)23-15-8-7-14-22(23)27-24(28)16-9-17-29-27/h1-17H,18-19H2.
What are the key properties of 2-(5-phenacylindeno[1,2-b]pyridin-5-yl)-1-phenylethanone?
2-(5-phenacylindeno[1,2-b]pyridin-5-yl)-1-phenylethanone has a molecular weight of 403.48 g/mol, XLogP of 5.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenacylindeno[1,2-b]pyridin-5-yl)-1-phenylethanone is sourced from PubChem (CID 14119030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).