1-(2-acetyl-1,10-phenanthrolin-3-yl)ethanone;palladium(2+)

C16H12N2O2Pd+2 — CID 175823591

IUPAC1-(2-acetyl-1,10-phenanthrolin-3-yl)ethanone;palladium(2+)
SMILESCC(=O)c1cc2ccc3cccnc3c2nc1C(C)=O.[Pd+2]
InChIInChI=1S/C16H12N2O2.Pd/c1-9(19)13-8-12-6-5-11-4-3-7-17-15(11)16(12)18-14(13)10(2)20;/h3-8H,1-2H3;/q;+2
InChIKeyJEIJANVHQCZHCF-UHFFFAOYSA-N
MW370.70 g/mol
LogP3.19
Rot. Bonds2

About 1-(2-acetyl-1,10-phenanthrolin-3-yl)ethanone;palladium(2+)

1-(2-acetyl-1,10-phenanthrolin-3-yl)ethanone;palladium(2+) (PubChem CID 175823591) has the molecular formula C16H12N2O2Pd+2 and a molecular weight of 370.70 g/mol. Its IUPAC name is 1-(2-acetyl-1,10-phenanthrolin-3-yl)ethanone;palladium(2+).

Molecular Properties

Compound Name1-(2-acetyl-1,10-phenanthrolin-3-yl)ethanone;palladium(2+)
PubChem CID175823591
Molecular FormulaC16H12N2O2Pd+2
Molecular Weight370.70 g/mol
Exact Mass369.99
IUPAC Name1-(2-acetyl-1,10-phenanthrolin-3-yl)ethanone;palladium(2+)
SMILESCC(=O)c1cc2ccc3cccnc3c2nc1C(C)=O.[Pd+2]
InChIInChI=1S/C16H12N2O2.Pd/c1-9(19)13-8-12-6-5-11-4-3-7-17-15(11)16(12)18-14(13)10(2)20;/h3-8H,1-2H3;/q;+2
InChIKeyJEIJANVHQCZHCF-UHFFFAOYSA-N
XLogP3.19
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.70
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-acetyl-1,10-phenanthrolin-3-yl)ethanone;palladium(2+)?
The IUPAC name of 1-(2-acetyl-1,10-phenanthrolin-3-yl)ethanone;palladium(2+) (CID 175823591) is 1-(2-acetyl-1,10-phenanthrolin-3-yl)ethanone;palladium(2+).
What is the SMILES notation for 1-(2-acetyl-1,10-phenanthrolin-3-yl)ethanone;palladium(2+)?
The canonical SMILES for 1-(2-acetyl-1,10-phenanthrolin-3-yl)ethanone;palladium(2+) is CC(=O)c1cc2ccc3cccnc3c2nc1C(C)=O.[Pd+2].
What is the InChIKey of 1-(2-acetyl-1,10-phenanthrolin-3-yl)ethanone;palladium(2+)?
The InChIKey is JEIJANVHQCZHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2.Pd/c1-9(19)13-8-12-6-5-11-4-3-7-17-15(11)16(12)18-14(13)10(2)20;/h3-8H,1-2H3;/q;+2.
What are the key properties of 1-(2-acetyl-1,10-phenanthrolin-3-yl)ethanone;palladium(2+)?
1-(2-acetyl-1,10-phenanthrolin-3-yl)ethanone;palladium(2+) has a molecular weight of 370.70 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetyl-1,10-phenanthrolin-3-yl)ethanone;palladium(2+) is sourced from PubChem (CID 175823591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).