bis(benzene-1,2-diolate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine)

C32H24N4O4Pd2 — CID 139068440

IUPACbis(benzene-1,2-diolate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine)
SMILES[O-]c1ccccc1[O-].[O-]c1ccccc1[O-].[Pd+2].[Pd+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.2C6H6O2.2Pd/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*7-5-3-1-2-4-6(5)8;;/h2*1-8H;2*1-4,7-8H;;/q;;;;2*+2/p-4
InChIKeyKWQNHKWIRUBGHR-UHFFFAOYSA-J
MW741.41 g/mol
LogP3.95
Rot. Bonds2

About bis(benzene-1,2-diolate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine)

bis(benzene-1,2-diolate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine) (PubChem CID 139068440) has the molecular formula C32H24N4O4Pd2 and a molecular weight of 741.41 g/mol. Its IUPAC name is bis(benzene-1,2-diolate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine).

Molecular Properties

Compound Namebis(benzene-1,2-diolate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine)
PubChem CID139068440
Molecular FormulaC32H24N4O4Pd2
Molecular Weight741.41 g/mol
Exact Mass739.99
IUPAC Namebis(benzene-1,2-diolate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine)
SMILES[O-]c1ccccc1[O-].[O-]c1ccccc1[O-].[Pd+2].[Pd+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C10H8N2.2C6H6O2.2Pd/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*7-5-3-1-2-4-6(5)8;;/h2*1-8H;2*1-4,7-8H;;/q;;;;2*+2/p-4
InChIKeyKWQNHKWIRUBGHR-UHFFFAOYSA-J
XLogP3.95
TPSA143.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500741.41
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of bis(benzene-1,2-diolate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine)?
The IUPAC name of bis(benzene-1,2-diolate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine) (CID 139068440) is bis(benzene-1,2-diolate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine).
What is the SMILES notation for bis(benzene-1,2-diolate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine)?
The canonical SMILES for bis(benzene-1,2-diolate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine) is [O-]c1ccccc1[O-].[O-]c1ccccc1[O-].[Pd+2].[Pd+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis(benzene-1,2-diolate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine)?
The InChIKey is KWQNHKWIRUBGHR-UHFFFAOYSA-J. The full InChI is InChI=1S/2C10H8N2.2C6H6O2.2Pd/c2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;2*7-5-3-1-2-4-6(5)8;;/h2*1-8H;2*1-4,7-8H;;/q;;;;2*+2/p-4.
What are the key properties of bis(benzene-1,2-diolate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine)?
bis(benzene-1,2-diolate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine) has a molecular weight of 741.41 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(benzene-1,2-diolate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine) is sourced from PubChem (CID 139068440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).