tetrakis(cobalt(3+));methanol;tetrakis(pyridin-2-ylmethanol);tetrakis(pyridin-2-ylmethanolate);octabromide;tetrahydrate

C52H76Br8Co4N8O16 — CID 139078746

IUPACtetrakis(cobalt(3+));methanol;tetrakis(pyridin-2-ylmethanol);tetrakis(pyridin-2-ylmethanolate);octabromide;tetrahydrate
SMILESCO.CO.CO.CO.O.O.O.O.OCc1ccccn1.OCc1ccccn1.OCc1ccccn1.OCc1ccccn1.[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Co+3].[Co+3].[Co+3].[Co+3].[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1
InChIInChI=1S/4C6H7NO.4C6H6NO.4CH4O.8BrH.4Co.4H2O/c8*8-5-6-3-1-2-4-7-6;4*1-2;;;;;;;;;;;;;;;;/h4*1-4,8H,5H2;4*1-4H,5H2;4*2H,1H3;8*1H;;;;;4*1H2/q;;;;4*-1;;;;;;;;;;;;;4*+3;;;;/p-8
InChIKeyBUDKJJXMMBGJKH-UHFFFAOYSA-F
MW1944.18 g/mol
LogP-26.78
Rot. Bonds8

About tetrakis(cobalt(3+));methanol;tetrakis(pyridin-2-ylmethanol);tetrakis(pyridin-2-ylmethanolate);octabromide;tetrahydrate

tetrakis(cobalt(3+));methanol;tetrakis(pyridin-2-ylmethanol);tetrakis(pyridin-2-ylmethanolate);octabromide;tetrahydrate (PubChem CID 139078746) has the molecular formula C52H76Br8Co4N8O16 and a molecular weight of 1944.18 g/mol. Its IUPAC name is tetrakis(cobalt(3+));methanol;tetrakis(pyridin-2-ylmethanol);tetrakis(pyridin-2-ylmethanolate);octabromide;tetrahydrate.

Molecular Properties

Compound Nametetrakis(cobalt(3+));methanol;tetrakis(pyridin-2-ylmethanol);tetrakis(pyridin-2-ylmethanolate);octabromide;tetrahydrate
PubChem CID139078746
Molecular FormulaC52H76Br8Co4N8O16
Molecular Weight1944.18 g/mol
Exact Mass1935.62
IUPAC Nametetrakis(cobalt(3+));methanol;tetrakis(pyridin-2-ylmethanol);tetrakis(pyridin-2-ylmethanolate);octabromide;tetrahydrate
SMILESCO.CO.CO.CO.O.O.O.O.OCc1ccccn1.OCc1ccccn1.OCc1ccccn1.OCc1ccccn1.[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Co+3].[Co+3].[Co+3].[Co+3].[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1
InChIInChI=1S/4C6H7NO.4C6H6NO.4CH4O.8BrH.4Co.4H2O/c8*8-5-6-3-1-2-4-7-6;4*1-2;;;;;;;;;;;;;;;;/h4*1-4,8H,5H2;4*1-4H,5H2;4*2H,1H3;8*1H;;;;;4*1H2/q;;;;4*-1;;;;;;;;;;;;;4*+3;;;;/p-8
InChIKeyBUDKJJXMMBGJKH-UHFFFAOYSA-F
XLogP-26.78
TPSA483.20 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds8
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001944.18
LogP ≤ 5-26.78
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

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Related Compounds

ethane;pyridin-2-ylmethanol
CID 91461493
pyridin-2-ylmethanol;vanadium
CID 176962038
heptakis(cobalt(2+));tetrakis(dichloromethane);dodecakis(pyridin-2-ylmethanolate);dichloride
CID 139157089
butanoic acid;pyridin-2-ylmethanol
CID 21117383
bis(2-propan-2-ylphenolate);bis(pyridin-2-ylmethanolate);titanium(4+)
CID 139128838
2,3-dihydroxybutanedioic acid;pyridin-2-ylmethanol
CID 70556575
2-(fluoromethyl)pyridine;hydroiodide
CID 173061202
ethane;pyridin-2-ylmethanamine
CID 90791011
ethane;2-ethylpyridine
CID 91102000
2-ethylpyridine;sulfane
CID 67363352
ethane;methyl(pyridin-2-ylmethyl)azanium
CID 91331708
4-phenylmethoxyphenol;pyridin-2-ylmethanol
CID 159945891

Frequently Asked Questions

What is the IUPAC name of tetrakis(cobalt(3+));methanol;tetrakis(pyridin-2-ylmethanol);tetrakis(pyridin-2-ylmethanolate);octabromide;tetrahydrate?
The IUPAC name of tetrakis(cobalt(3+));methanol;tetrakis(pyridin-2-ylmethanol);tetrakis(pyridin-2-ylmethanolate);octabromide;tetrahydrate (CID 139078746) is tetrakis(cobalt(3+));methanol;tetrakis(pyridin-2-ylmethanol);tetrakis(pyridin-2-ylmethanolate);octabromide;tetrahydrate.
What is the SMILES notation for tetrakis(cobalt(3+));methanol;tetrakis(pyridin-2-ylmethanol);tetrakis(pyridin-2-ylmethanolate);octabromide;tetrahydrate?
The canonical SMILES for tetrakis(cobalt(3+));methanol;tetrakis(pyridin-2-ylmethanol);tetrakis(pyridin-2-ylmethanolate);octabromide;tetrahydrate is CO.CO.CO.CO.O.O.O.O.OCc1ccccn1.OCc1ccccn1.OCc1ccccn1.OCc1ccccn1.[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Co+3].[Co+3].[Co+3].[Co+3].[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.[O-]Cc1ccccn1.
What is the InChIKey of tetrakis(cobalt(3+));methanol;tetrakis(pyridin-2-ylmethanol);tetrakis(pyridin-2-ylmethanolate);octabromide;tetrahydrate?
The InChIKey is BUDKJJXMMBGJKH-UHFFFAOYSA-F. The full InChI is InChI=1S/4C6H7NO.4C6H6NO.4CH4O.8BrH.4Co.4H2O/c8*8-5-6-3-1-2-4-7-6;4*1-2;;;;;;;;;;;;;;;;/h4*1-4,8H,5H2;4*1-4H,5H2;4*2H,1H3;8*1H;;;;;4*1H2/q;;;;4*-1;;;;;;;;;;;;;4*+3;;;;/p-8.
What are the key properties of tetrakis(cobalt(3+));methanol;tetrakis(pyridin-2-ylmethanol);tetrakis(pyridin-2-ylmethanolate);octabromide;tetrahydrate?
tetrakis(cobalt(3+));methanol;tetrakis(pyridin-2-ylmethanol);tetrakis(pyridin-2-ylmethanolate);octabromide;tetrahydrate has a molecular weight of 1944.18 g/mol, XLogP of -26.78, 8 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(cobalt(3+));methanol;tetrakis(pyridin-2-ylmethanol);tetrakis(pyridin-2-ylmethanolate);octabromide;tetrahydrate is sourced from PubChem (CID 139078746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).