1-(1,2-diphenylethenoxy)pyridin-1-ium;palladium

C19H15NOPd — CID 134840758

IUPAC1-(1,2-diphenylethenoxy)pyridin-1-ium;palladium
SMILES[C-](=C(\O[n+]1ccccc1)c1ccccc1)\c1ccccc1.[Pd]
InChIInChI=1S/C19H15NO.Pd/c1-4-10-17(11-5-1)16-19(18-12-6-2-7-13-18)21-20-14-8-3-9-15-20;/h1-15H;
InChIKeyZHAGEILQTINVSA-UHFFFAOYSA-N
MW379.76 g/mol
LogP3.29
Rot. Bonds4

About 1-(1,2-diphenylethenoxy)pyridin-1-ium;palladium

1-(1,2-diphenylethenoxy)pyridin-1-ium;palladium (PubChem CID 134840758) has the molecular formula C19H15NOPd and a molecular weight of 379.76 g/mol. Its IUPAC name is 1-(1,2-diphenylethenoxy)pyridin-1-ium;palladium.

Molecular Properties

Compound Name1-(1,2-diphenylethenoxy)pyridin-1-ium;palladium
PubChem CID134840758
Molecular FormulaC19H15NOPd
Molecular Weight379.76 g/mol
Exact Mass379.02
IUPAC Name1-(1,2-diphenylethenoxy)pyridin-1-ium;palladium
SMILES[C-](=C(\O[n+]1ccccc1)c1ccccc1)\c1ccccc1.[Pd]
InChIInChI=1S/C19H15NO.Pd/c1-4-10-17(11-5-1)16-19(18-12-6-2-7-13-18)21-20-14-8-3-9-15-20;/h1-15H;
InChIKeyZHAGEILQTINVSA-UHFFFAOYSA-N
XLogP3.29
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.76
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-diphenylethenoxy)pyridin-1-ium;palladium?
The IUPAC name of 1-(1,2-diphenylethenoxy)pyridin-1-ium;palladium (CID 134840758) is 1-(1,2-diphenylethenoxy)pyridin-1-ium;palladium.
What is the SMILES notation for 1-(1,2-diphenylethenoxy)pyridin-1-ium;palladium?
The canonical SMILES for 1-(1,2-diphenylethenoxy)pyridin-1-ium;palladium is [C-](=C(\O[n+]1ccccc1)c1ccccc1)\c1ccccc1.[Pd].
What is the InChIKey of 1-(1,2-diphenylethenoxy)pyridin-1-ium;palladium?
The InChIKey is ZHAGEILQTINVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO.Pd/c1-4-10-17(11-5-1)16-19(18-12-6-2-7-13-18)21-20-14-8-3-9-15-20;/h1-15H;.
What are the key properties of 1-(1,2-diphenylethenoxy)pyridin-1-ium;palladium?
1-(1,2-diphenylethenoxy)pyridin-1-ium;palladium has a molecular weight of 379.76 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-diphenylethenoxy)pyridin-1-ium;palladium is sourced from PubChem (CID 134840758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).