bis(2,6-dipyridin-2-ylpyridine);hexakis(4-iodobenzoate);bis(ytterbium(3+));dihydrate

C72H50I6N6O14Yb2 — CID 139203194

IUPACbis(2,6-dipyridin-2-ylpyridine);hexakis(4-iodobenzoate);bis(ytterbium(3+));dihydrate
SMILESO.O.O=C([O-])c1ccc(I)cc1.O=C([O-])c1ccc(I)cc1.O=C([O-])c1ccc(I)cc1.O=C([O-])c1ccc(I)cc1.O=C([O-])c1ccc(I)cc1.O=C([O-])c1ccc(I)cc1.[Yb+3].[Yb+3].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/2C15H11N3.6C7H5IO2.2H2O.2Yb/c2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;6*8-6-3-1-5(2-4-6)7(9)10;;;;/h2*1-11H;6*1-4H,(H,9,10);2*1H2;;/q;;;;;;;;;;2*+3/p-6
InChIKeyDCNYYZJJPBUZEY-UHFFFAOYSA-H
MW2330.72 g/mol
LogP8.69
Rot. Bonds10

About bis(2,6-dipyridin-2-ylpyridine);hexakis(4-iodobenzoate);bis(ytterbium(3+));dihydrate

bis(2,6-dipyridin-2-ylpyridine);hexakis(4-iodobenzoate);bis(ytterbium(3+));dihydrate (PubChem CID 139203194) has the molecular formula C72H50I6N6O14Yb2 and a molecular weight of 2330.72 g/mol. Its IUPAC name is bis(2,6-dipyridin-2-ylpyridine);hexakis(4-iodobenzoate);bis(ytterbium(3+));dihydrate.

Molecular Properties

Compound Namebis(2,6-dipyridin-2-ylpyridine);hexakis(4-iodobenzoate);bis(ytterbium(3+));dihydrate
PubChem CID139203194
Molecular FormulaC72H50I6N6O14Yb2
Molecular Weight2330.72 g/mol
Exact Mass2331.64
IUPAC Namebis(2,6-dipyridin-2-ylpyridine);hexakis(4-iodobenzoate);bis(ytterbium(3+));dihydrate
SMILESO.O.O=C([O-])c1ccc(I)cc1.O=C([O-])c1ccc(I)cc1.O=C([O-])c1ccc(I)cc1.O=C([O-])c1ccc(I)cc1.O=C([O-])c1ccc(I)cc1.O=C([O-])c1ccc(I)cc1.[Yb+3].[Yb+3].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/2C15H11N3.6C7H5IO2.2H2O.2Yb/c2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;6*8-6-3-1-5(2-4-6)7(9)10;;;;/h2*1-11H;6*1-4H,(H,9,10);2*1H2;;/q;;;;;;;;;;2*+3/p-6
InChIKeyDCNYYZJJPBUZEY-UHFFFAOYSA-H
XLogP8.69
TPSA381.12 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002330.72
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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Related Compounds

copper;2,6-dipyridin-2-ylpyridine;diacetate;hydrate
CID 139207056
6-(5-carboxylato-2-pyridinyl)pyridine-3-carboxylate;bis(2-pyridin-2-ylpyridine);ruthenium(2+);dihydrochloride
CID 154729977
4-[2-(3-methylphenyl)-6-pyridin-2-yl-4-pyridinyl]benzoate
CID 102480222
3-pyridin-2-ylbenzoate
CID 7020368
manganese(2+);2-pyridin-2-yl-6-(6-pyridin-2-yl-2-pyridinyl)pyridine;diperchlorate;dihydrate
CID 11061040
dicopper;tetrakis(2-iodoacetate);bis(2-pyridin-2-ylpyridine);dihydrate
CID 139070149
octakis(2,6-bis(1H-pyrazol-3-yl)pyridine);tetrakis(iron(2+));methanol;terephthalate;tetrahydrate
CID 139169610
copper;bis(3-methoxybenzoate);2-pyridin-2-ylpyridine;hydrate
CID 139080745
2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-[2-pyridin-2-yl-6-[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-4-pyridinyl]pyridine
CID 15448140
2,4,6-tripyridin-2-ylpyrimidine
CID 70005539
benzoate tetrahydrate
CID 18510013
iridium(3+);2-phenyl-6-pyridin-2-ylpyridine
CID 159332179

Frequently Asked Questions

What is the IUPAC name of bis(2,6-dipyridin-2-ylpyridine);hexakis(4-iodobenzoate);bis(ytterbium(3+));dihydrate?
The IUPAC name of bis(2,6-dipyridin-2-ylpyridine);hexakis(4-iodobenzoate);bis(ytterbium(3+));dihydrate (CID 139203194) is bis(2,6-dipyridin-2-ylpyridine);hexakis(4-iodobenzoate);bis(ytterbium(3+));dihydrate.
What is the SMILES notation for bis(2,6-dipyridin-2-ylpyridine);hexakis(4-iodobenzoate);bis(ytterbium(3+));dihydrate?
The canonical SMILES for bis(2,6-dipyridin-2-ylpyridine);hexakis(4-iodobenzoate);bis(ytterbium(3+));dihydrate is O.O.O=C([O-])c1ccc(I)cc1.O=C([O-])c1ccc(I)cc1.O=C([O-])c1ccc(I)cc1.O=C([O-])c1ccc(I)cc1.O=C([O-])c1ccc(I)cc1.O=C([O-])c1ccc(I)cc1.[Yb+3].[Yb+3].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.
What is the InChIKey of bis(2,6-dipyridin-2-ylpyridine);hexakis(4-iodobenzoate);bis(ytterbium(3+));dihydrate?
The InChIKey is DCNYYZJJPBUZEY-UHFFFAOYSA-H. The full InChI is InChI=1S/2C15H11N3.6C7H5IO2.2H2O.2Yb/c2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;6*8-6-3-1-5(2-4-6)7(9)10;;;;/h2*1-11H;6*1-4H,(H,9,10);2*1H2;;/q;;;;;;;;;;2*+3/p-6.
What are the key properties of bis(2,6-dipyridin-2-ylpyridine);hexakis(4-iodobenzoate);bis(ytterbium(3+));dihydrate?
bis(2,6-dipyridin-2-ylpyridine);hexakis(4-iodobenzoate);bis(ytterbium(3+));dihydrate has a molecular weight of 2330.72 g/mol, XLogP of 8.69, 10 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,6-dipyridin-2-ylpyridine);hexakis(4-iodobenzoate);bis(ytterbium(3+));dihydrate is sourced from PubChem (CID 139203194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).