acetic acid;palladium;bis(1,10-phenanthroline)

C28H24N4O4Pd — CID 11261760

IUPACacetic acid;palladium;bis(1,10-phenanthroline)
SMILESCC(=O)O.CC(=O)O.[Pd].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.2C2H4O2.Pd/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-2(3)4;/h2*1-8H;2*1H3,(H,3,4);
InChIKeySEUAUPIDXCFRHQ-UHFFFAOYSA-N
MW586.94 g/mol
LogP5.75
Rot. Bonds

About acetic acid;palladium;bis(1,10-phenanthroline)

acetic acid;palladium;bis(1,10-phenanthroline) (PubChem CID 11261760) has the molecular formula C28H24N4O4Pd and a molecular weight of 586.94 g/mol. Its IUPAC name is acetic acid;palladium;bis(1,10-phenanthroline).

Molecular Properties

Compound Nameacetic acid;palladium;bis(1,10-phenanthroline)
PubChem CID11261760
Molecular FormulaC28H24N4O4Pd
Molecular Weight586.94 g/mol
Exact Mass586.08
IUPAC Nameacetic acid;palladium;bis(1,10-phenanthroline)
SMILESCC(=O)O.CC(=O)O.[Pd].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.2C2H4O2.Pd/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-2(3)4;/h2*1-8H;2*1H3,(H,3,4);
InChIKeySEUAUPIDXCFRHQ-UHFFFAOYSA-N
XLogP5.75
TPSA126.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.94
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 58385596
CID 58385596
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CID 20606755
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CID 174616745
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CID 15001085
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Frequently Asked Questions

What is the IUPAC name of acetic acid;palladium;bis(1,10-phenanthroline)?
The IUPAC name of acetic acid;palladium;bis(1,10-phenanthroline) (CID 11261760) is acetic acid;palladium;bis(1,10-phenanthroline).
What is the SMILES notation for acetic acid;palladium;bis(1,10-phenanthroline)?
The canonical SMILES for acetic acid;palladium;bis(1,10-phenanthroline) is CC(=O)O.CC(=O)O.[Pd].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of acetic acid;palladium;bis(1,10-phenanthroline)?
The InChIKey is SEUAUPIDXCFRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H8N2.2C2H4O2.Pd/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-2(3)4;/h2*1-8H;2*1H3,(H,3,4);.
What are the key properties of acetic acid;palladium;bis(1,10-phenanthroline)?
acetic acid;palladium;bis(1,10-phenanthroline) has a molecular weight of 586.94 g/mol, XLogP of 5.75, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;palladium;bis(1,10-phenanthroline) is sourced from PubChem (CID 11261760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).