tris(2,6-ditert-butylphenolate);dysprosium(3+);bis(pyridine)

C52H73DyN2O3 — CID 139129342

IUPACtris(2,6-ditert-butylphenolate);dysprosium(3+);bis(pyridine)
SMILESCC(C)(C)c1cccc(C(C)(C)C)c1[O-].CC(C)(C)c1cccc(C(C)(C)C)c1[O-].CC(C)(C)c1cccc(C(C)(C)C)c1[O-].[Dy+3].c1ccncc1.c1ccncc1
InChIInChI=1S/3C14H22O.2C5H5N.Dy/c3*1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6;2*1-2-4-6-5-3-1;/h3*7-9,15H,1-6H3;2*1-5H;/q;;;;;+3/p-3
InChIKeyWBYNFSKPKRQNFT-UHFFFAOYSA-K
MW936.67 g/mol
LogP12.23
Rot. Bonds

About tris(2,6-ditert-butylphenolate);dysprosium(3+);bis(pyridine)

tris(2,6-ditert-butylphenolate);dysprosium(3+);bis(pyridine) (PubChem CID 139129342) has the molecular formula C52H73DyN2O3 and a molecular weight of 936.67 g/mol. Its IUPAC name is tris(2,6-ditert-butylphenolate);dysprosium(3+);bis(pyridine).

Molecular Properties

Compound Nametris(2,6-ditert-butylphenolate);dysprosium(3+);bis(pyridine)
PubChem CID139129342
Molecular FormulaC52H73DyN2O3
Molecular Weight936.67 g/mol
Exact Mass937.49
IUPAC Nametris(2,6-ditert-butylphenolate);dysprosium(3+);bis(pyridine)
SMILESCC(C)(C)c1cccc(C(C)(C)C)c1[O-].CC(C)(C)c1cccc(C(C)(C)C)c1[O-].CC(C)(C)c1cccc(C(C)(C)C)c1[O-].[Dy+3].c1ccncc1.c1ccncc1
InChIInChI=1S/3C14H22O.2C5H5N.Dy/c3*1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6;2*1-2-4-6-5-3-1;/h3*7-9,15H,1-6H3;2*1-5H;/q;;;;;+3/p-3
InChIKeyWBYNFSKPKRQNFT-UHFFFAOYSA-K
XLogP12.23
TPSA94.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500936.67
LogP ≤ 512.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tris(2,6-ditert-butylphenolate);dysprosium(3+);bis(pyridine)?
The IUPAC name of tris(2,6-ditert-butylphenolate);dysprosium(3+);bis(pyridine) (CID 139129342) is tris(2,6-ditert-butylphenolate);dysprosium(3+);bis(pyridine).
What is the SMILES notation for tris(2,6-ditert-butylphenolate);dysprosium(3+);bis(pyridine)?
The canonical SMILES for tris(2,6-ditert-butylphenolate);dysprosium(3+);bis(pyridine) is CC(C)(C)c1cccc(C(C)(C)C)c1[O-].CC(C)(C)c1cccc(C(C)(C)C)c1[O-].CC(C)(C)c1cccc(C(C)(C)C)c1[O-].[Dy+3].c1ccncc1.c1ccncc1.
What is the InChIKey of tris(2,6-ditert-butylphenolate);dysprosium(3+);bis(pyridine)?
The InChIKey is WBYNFSKPKRQNFT-UHFFFAOYSA-K. The full InChI is InChI=1S/3C14H22O.2C5H5N.Dy/c3*1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6;2*1-2-4-6-5-3-1;/h3*7-9,15H,1-6H3;2*1-5H;/q;;;;;+3/p-3.
What are the key properties of tris(2,6-ditert-butylphenolate);dysprosium(3+);bis(pyridine)?
tris(2,6-ditert-butylphenolate);dysprosium(3+);bis(pyridine) has a molecular weight of 936.67 g/mol, XLogP of 12.23, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2,6-ditert-butylphenolate);dysprosium(3+);bis(pyridine) is sourced from PubChem (CID 139129342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).