1-(11-benzoylpyrrolo[1,2-a][1,10]phenanthrolin-9-yl)ethanone

C24H16N2O2 — CID 45051068

IUPAC1-(11-benzoylpyrrolo[1,2-a][1,10]phenanthrolin-9-yl)ethanone
SMILESCC(=O)c1cc(C(=O)c2ccccc2)n2c1ccc1ccc3cccnc3c12
InChIInChI=1S/C24H16N2O2/c1-15(27)19-14-21(24(28)18-6-3-2-4-7-18)26-20(19)12-11-17-10-9-16-8-5-13-25-22(16)23(17)26/h2-14H,1H3
InChIKeyKYELJBFXWUFMLI-UHFFFAOYSA-N
MW364.40 g/mol
LogP5.07
Rot. Bonds3

About 1-(11-benzoylpyrrolo[1,2-a][1,10]phenanthrolin-9-yl)ethanone

1-(11-benzoylpyrrolo[1,2-a][1,10]phenanthrolin-9-yl)ethanone (PubChem CID 45051068) has the molecular formula C24H16N2O2 and a molecular weight of 364.40 g/mol. Its IUPAC name is 1-(11-benzoylpyrrolo[1,2-a][1,10]phenanthrolin-9-yl)ethanone.

Molecular Properties

Compound Name1-(11-benzoylpyrrolo[1,2-a][1,10]phenanthrolin-9-yl)ethanone
PubChem CID45051068
Molecular FormulaC24H16N2O2
Molecular Weight364.40 g/mol
Exact Mass364.12
IUPAC Name1-(11-benzoylpyrrolo[1,2-a][1,10]phenanthrolin-9-yl)ethanone
SMILESCC(=O)c1cc(C(=O)c2ccccc2)n2c1ccc1ccc3cccnc3c12
InChIInChI=1S/C24H16N2O2/c1-15(27)19-14-21(24(28)18-6-3-2-4-7-18)26-20(19)12-11-17-10-9-16-8-5-13-25-22(16)23(17)26/h2-14H,1H3
InChIKeyKYELJBFXWUFMLI-UHFFFAOYSA-N
XLogP5.07
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.40
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-(11-benzoylpyrrolo[1,2-a][1,10]phenanthrolin-9-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(11-benzoylpyrrolo[1,2-a][1,10]phenanthrolin-9-yl)ethanone?
The IUPAC name of 1-(11-benzoylpyrrolo[1,2-a][1,10]phenanthrolin-9-yl)ethanone (CID 45051068) is 1-(11-benzoylpyrrolo[1,2-a][1,10]phenanthrolin-9-yl)ethanone.
What is the SMILES notation for 1-(11-benzoylpyrrolo[1,2-a][1,10]phenanthrolin-9-yl)ethanone?
The canonical SMILES for 1-(11-benzoylpyrrolo[1,2-a][1,10]phenanthrolin-9-yl)ethanone is CC(=O)c1cc(C(=O)c2ccccc2)n2c1ccc1ccc3cccnc3c12.
What is the InChIKey of 1-(11-benzoylpyrrolo[1,2-a][1,10]phenanthrolin-9-yl)ethanone?
The InChIKey is KYELJBFXWUFMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O2/c1-15(27)19-14-21(24(28)18-6-3-2-4-7-18)26-20(19)12-11-17-10-9-16-8-5-13-25-22(16)23(17)26/h2-14H,1H3.
What are the key properties of 1-(11-benzoylpyrrolo[1,2-a][1,10]phenanthrolin-9-yl)ethanone?
1-(11-benzoylpyrrolo[1,2-a][1,10]phenanthrolin-9-yl)ethanone has a molecular weight of 364.40 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(11-benzoylpyrrolo[1,2-a][1,10]phenanthrolin-9-yl)ethanone is sourced from PubChem (CID 45051068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).