ethanol;manganese(3+);bis(2-(5-phenyl-1H-pyrazol-3-yl)phenolate);perchlorate

C38H46ClMnN4O10 — CID 139158868

IUPACethanol;manganese(3+);bis(2-(5-phenyl-1H-pyrazol-3-yl)phenolate);perchlorate
SMILESCCO.CCO.CCO.CCO.[Mn+3].[O-][Cl+3]([O-])([O-])[O-].[O-]c1ccccc1-c1cc(-c2ccccc2)[nH]n1.[O-]c1ccccc1-c1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/2C15H12N2O.4C2H6O.ClHO4.Mn/c2*18-15-9-5-4-8-12(15)14-10-13(16-17-14)11-6-2-1-3-7-11;4*1-2-3;2-1(3,4)5;/h2*1-10,18H,(H,16,17);4*3H,2H2,1H3;(H,2,3,4,5);/q;;;;;;;+3/p-3
InChIKeyOGXZMNABXGDYSX-UHFFFAOYSA-K
MW809.20 g/mol
LogP0.87
Rot. Bonds4

About ethanol;manganese(3+);bis(2-(5-phenyl-1H-pyrazol-3-yl)phenolate);perchlorate

ethanol;manganese(3+);bis(2-(5-phenyl-1H-pyrazol-3-yl)phenolate);perchlorate (PubChem CID 139158868) has the molecular formula C38H46ClMnN4O10 and a molecular weight of 809.20 g/mol. Its IUPAC name is ethanol;manganese(3+);bis(2-(5-phenyl-1H-pyrazol-3-yl)phenolate);perchlorate.

Molecular Properties

Compound Nameethanol;manganese(3+);bis(2-(5-phenyl-1H-pyrazol-3-yl)phenolate);perchlorate
PubChem CID139158868
Molecular FormulaC38H46ClMnN4O10
Molecular Weight809.20 g/mol
Exact Mass808.23
IUPAC Nameethanol;manganese(3+);bis(2-(5-phenyl-1H-pyrazol-3-yl)phenolate);perchlorate
SMILESCCO.CCO.CCO.CCO.[Mn+3].[O-][Cl+3]([O-])([O-])[O-].[O-]c1ccccc1-c1cc(-c2ccccc2)[nH]n1.[O-]c1ccccc1-c1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/2C15H12N2O.4C2H6O.ClHO4.Mn/c2*18-15-9-5-4-8-12(15)14-10-13(16-17-14)11-6-2-1-3-7-11;4*1-2-3;2-1(3,4)5;/h2*1-10,18H,(H,16,17);4*3H,2H2,1H3;(H,2,3,4,5);/q;;;;;;;+3/p-3
InChIKeyOGXZMNABXGDYSX-UHFFFAOYSA-K
XLogP0.87
TPSA276.64 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500809.20
LogP ≤ 50.87
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

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Related Compounds

Bis[2-(pyrazol-3-yl)phenolato]copper(II) methanol disolvate
CID 139058412
copper bis(2,4-ditert-butyl-6-(5-methyl-1H-pyrazol-3-yl)phenolate)
CID 139157248
cobalt(3+);tris(2,4-ditert-butyl-6-(5-methyl-1H-pyrazol-3-yl)phenolate)
CID 139157249
manganese;manganese(3+);methanol;methanolate;2-(5-methylpyrazol-1-id-3-yl)phenolate;2-(5-methylpyrazol-2-id-3-yl)phenolate;bis(2-(5-methyl-1H-pyrazol-3-yl)phenolate)
CID 139158866
bis(2,4-ditert-butyl-6-(5-methyl-1H-pyrazol-3-yl)phenolate);nickel(2+)
CID 139167213
manganese(3+);bis(2-(5-phenyl-1H-pyrazol-3-yl)phenolate);azide
CID 168347841
sodium;manganese;manganese(3+);methanol;bis(2-(5-phenylpyrazol-1-id-3-yl)phenolate);bis(2-(5-phenyl-1H-pyrazol-3-yl)phenolate);diformate
CID 139158867

Frequently Asked Questions

What is the IUPAC name of ethanol;manganese(3+);bis(2-(5-phenyl-1H-pyrazol-3-yl)phenolate);perchlorate?
The IUPAC name of ethanol;manganese(3+);bis(2-(5-phenyl-1H-pyrazol-3-yl)phenolate);perchlorate (CID 139158868) is ethanol;manganese(3+);bis(2-(5-phenyl-1H-pyrazol-3-yl)phenolate);perchlorate.
What is the SMILES notation for ethanol;manganese(3+);bis(2-(5-phenyl-1H-pyrazol-3-yl)phenolate);perchlorate?
The canonical SMILES for ethanol;manganese(3+);bis(2-(5-phenyl-1H-pyrazol-3-yl)phenolate);perchlorate is CCO.CCO.CCO.CCO.[Mn+3].[O-][Cl+3]([O-])([O-])[O-].[O-]c1ccccc1-c1cc(-c2ccccc2)[nH]n1.[O-]c1ccccc1-c1cc(-c2ccccc2)[nH]n1.
What is the InChIKey of ethanol;manganese(3+);bis(2-(5-phenyl-1H-pyrazol-3-yl)phenolate);perchlorate?
The InChIKey is OGXZMNABXGDYSX-UHFFFAOYSA-K. The full InChI is InChI=1S/2C15H12N2O.4C2H6O.ClHO4.Mn/c2*18-15-9-5-4-8-12(15)14-10-13(16-17-14)11-6-2-1-3-7-11;4*1-2-3;2-1(3,4)5;/h2*1-10,18H,(H,16,17);4*3H,2H2,1H3;(H,2,3,4,5);/q;;;;;;;+3/p-3.
What are the key properties of ethanol;manganese(3+);bis(2-(5-phenyl-1H-pyrazol-3-yl)phenolate);perchlorate?
ethanol;manganese(3+);bis(2-(5-phenyl-1H-pyrazol-3-yl)phenolate);perchlorate has a molecular weight of 809.20 g/mol, XLogP of 0.87, 4 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;manganese(3+);bis(2-(5-phenyl-1H-pyrazol-3-yl)phenolate);perchlorate is sourced from PubChem (CID 139158868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).