bis(3-oxidonaphthalene-2-carboxylate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);hydrate

C42H30N4O7Pd2 — CID 139067336

IUPACbis(3-oxidonaphthalene-2-carboxylate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);hydrate
SMILESO.O=C([O-])c1cc2ccccc2cc1[O-].O=C([O-])c1cc2ccccc2cc1[O-].[Pd+2].[Pd+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C11H8O3.2C10H8N2.H2O.2Pd/c2*12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h2*1-6,12H,(H,13,14);2*1-8H;1H2;;/q;;;;;2*+2/p-4
InChIKeyUVNTZEQKADERHT-UHFFFAOYSA-J
MW915.56 g/mol
LogP4.01
Rot. Bonds4

About bis(3-oxidonaphthalene-2-carboxylate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);hydrate

bis(3-oxidonaphthalene-2-carboxylate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);hydrate (PubChem CID 139067336) has the molecular formula C42H30N4O7Pd2 and a molecular weight of 915.56 g/mol. Its IUPAC name is bis(3-oxidonaphthalene-2-carboxylate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);hydrate.

Molecular Properties

Compound Namebis(3-oxidonaphthalene-2-carboxylate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);hydrate
PubChem CID139067336
Molecular FormulaC42H30N4O7Pd2
Molecular Weight915.56 g/mol
Exact Mass914.02
IUPAC Namebis(3-oxidonaphthalene-2-carboxylate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);hydrate
SMILESO.O=C([O-])c1cc2ccccc2cc1[O-].O=C([O-])c1cc2ccccc2cc1[O-].[Pd+2].[Pd+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/2C11H8O3.2C10H8N2.H2O.2Pd/c2*12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h2*1-6,12H,(H,13,14);2*1-8H;1H2;;/q;;;;;2*+2/p-4
InChIKeyUVNTZEQKADERHT-UHFFFAOYSA-J
XLogP4.01
TPSA209.44 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500915.56
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

Bis(3-hydroxynaphthalene-2-carboxylic acid);4-pyridin-4-ylpyridine
CID 71427966
Dicopper;bis(2-hydroxybenzoic acid);bis(2-oxidobenzoate);bis(2-pyridin-2-ylpyridine)
CID 139066999
Bis(mu-biphenyl-2,2'-dicarboxylato)bis[(2,2'-bipyridine)copper(II)] tetrahydrate
CID 139072456
Bis(mu-6-hydroxynaphthalene-1-carboxylato)bis[(6-hydroxynaphthalene-1-carboxylato)(1,10-phenanthroline)cadmium(II)] tetrahydrate
CID 139077529
Tetrakis(mu-6-hydroxy-1-naphthoato)bis[(6-hydroxy-1-naphthoato)(1,10-phenanthroline)europium(III)] dihydrate
CID 139077820
Bis(2,2'-bipyridyl-kappa^2^N,N')bis(2-hydroxybenzoato)-kappaO^1^;kappa^2^O^1^,O^1'^-cadmium(II) methanol solvate
CID 139078259
1:1 Co-crystal of 6HNA + BPEE
CID 139145327
Copper;bis(2-hydroxybenzoate);4-phenyl-2,6-dipyridin-2-ylpyridine
CID 139168097
Bis(2-picoline) pamoaic acid co-crystal
CID 139195755
dioxidanium;cadmium(2+);3-carboxy-1-(3-carboxy-2-oxidonaphthalen-1-yl)naphthalen-2-olate;N,N-dimethylformamide;2-pyridin-2-ylpyridine
CID 168308760
{Bis[aqua(1,10-phenanthroline)]zinc(II)}^.^pamoato^.^ monohydrate
CID 168308918
Bis(mu-naphthalene-1,8-dicarboxylato)bis[aqua(2,2'-bipyridine)zinc(II)] tetrahydrate
CID 168309541

Frequently Asked Questions

What is the IUPAC name of bis(3-oxidonaphthalene-2-carboxylate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);hydrate?
The IUPAC name of bis(3-oxidonaphthalene-2-carboxylate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);hydrate (CID 139067336) is bis(3-oxidonaphthalene-2-carboxylate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);hydrate.
What is the SMILES notation for bis(3-oxidonaphthalene-2-carboxylate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);hydrate?
The canonical SMILES for bis(3-oxidonaphthalene-2-carboxylate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);hydrate is O.O=C([O-])c1cc2ccccc2cc1[O-].O=C([O-])c1cc2ccccc2cc1[O-].[Pd+2].[Pd+2].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis(3-oxidonaphthalene-2-carboxylate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);hydrate?
The InChIKey is UVNTZEQKADERHT-UHFFFAOYSA-J. The full InChI is InChI=1S/2C11H8O3.2C10H8N2.H2O.2Pd/c2*12-10-6-8-4-2-1-3-7(8)5-9(10)11(13)14;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;;;/h2*1-6,12H,(H,13,14);2*1-8H;1H2;;/q;;;;;2*+2/p-4.
What are the key properties of bis(3-oxidonaphthalene-2-carboxylate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);hydrate?
bis(3-oxidonaphthalene-2-carboxylate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);hydrate has a molecular weight of 915.56 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-oxidonaphthalene-2-carboxylate);bis(palladium(2+));bis(2-pyridin-2-ylpyridine);hydrate is sourced from PubChem (CID 139067336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).