4-ethyl-2-[6-[6-(5-ethyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese(3+);trichloride

C26H24Cl3MnN2O2 — CID 158793736

IUPAC4-ethyl-2-[6-[6-(5-ethyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese(3+);trichloride
SMILESCCc1ccc(O)c(-c2cccc(-c3cccc(-c4cc(CC)ccc4O)n3)n2)c1.[Cl-].[Cl-].[Cl-].[Mn+3]
InChIInChI=1S/C26H24N2O2.3ClH.Mn/c1-3-17-11-13-25(29)19(15-17)21-7-5-9-23(27-21)24-10-6-8-22(28-24)20-16-18(4-2)12-14-26(20)30;;;;/h5-16,29-30H,3-4H2,1-2H3;3*1H;/q;;;;+3/p-3
InChIKeyISPIRRCBHKXCJR-UHFFFAOYSA-K
MW557.79 g/mol
LogP-2.98
Rot. Bonds5

About 4-ethyl-2-[6-[6-(5-ethyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese(3+);trichloride

4-ethyl-2-[6-[6-(5-ethyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese(3+);trichloride (PubChem CID 158793736) has the molecular formula C26H24Cl3MnN2O2 and a molecular weight of 557.79 g/mol. Its IUPAC name is 4-ethyl-2-[6-[6-(5-ethyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese(3+);trichloride.

Molecular Properties

Compound Name4-ethyl-2-[6-[6-(5-ethyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese(3+);trichloride
PubChem CID158793736
Molecular FormulaC26H24Cl3MnN2O2
Molecular Weight557.79 g/mol
Exact Mass556.03
IUPAC Name4-ethyl-2-[6-[6-(5-ethyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese(3+);trichloride
SMILESCCc1ccc(O)c(-c2cccc(-c3cccc(-c4cc(CC)ccc4O)n3)n2)c1.[Cl-].[Cl-].[Cl-].[Mn+3]
InChIInChI=1S/C26H24N2O2.3ClH.Mn/c1-3-17-11-13-25(29)19(15-17)21-7-5-9-23(27-21)24-10-6-8-22(28-24)20-16-18(4-2)12-14-26(20)30;;;;/h5-16,29-30H,3-4H2,1-2H3;3*1H;/q;;;;+3/p-3
InChIKeyISPIRRCBHKXCJR-UHFFFAOYSA-K
XLogP-2.98
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.79
LogP ≤ 5-2.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-ethyl-2-[6-[6-(5-ethyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese(3+);trichloride with MolForge

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Related Compounds

acetic acid;4-ethyl-2-[6-[6-(5-ethyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese
CID 135673421
2-[6-[6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]-2-pyridinyl]-4-methylphenol;manganese(3+);trichloride
CID 160934491
3-(5-ethyl-2-hydroxyphenyl)benzene-1,2-diol
CID 101303033
2-(5-amino-1-methylpyrazol-3-yl)-4-ethylphenol
CID 137013099
2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-5-methylphenol;manganese(3+);trichloride
CID 159050723
4-benzyl-2-pyridin-2-ylphenol
CID 141478929
4-ethyl-2-[2-[(E)-2-pyridin-2-ylethenyl]phenyl]phenol
CID 175530208
2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-ethylphenol
CID 136993733
2-[6-[6-(2-hydroxy-5-methoxyphenyl)-2-pyridinyl]-2-pyridinyl]-6-methylphenol
CID 159753268
4-ethyl-2-[2-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenol
CID 135973862
2,6-ditert-butyl-4-(5-ethyl-2-hydroxyphenyl)phenol
CID 54333604
acetic acid;2-[6-[6-(2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese;methane
CID 158800037

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[6-[6-(5-ethyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese(3+);trichloride?
The IUPAC name of 4-ethyl-2-[6-[6-(5-ethyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese(3+);trichloride (CID 158793736) is 4-ethyl-2-[6-[6-(5-ethyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese(3+);trichloride.
What is the SMILES notation for 4-ethyl-2-[6-[6-(5-ethyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese(3+);trichloride?
The canonical SMILES for 4-ethyl-2-[6-[6-(5-ethyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese(3+);trichloride is CCc1ccc(O)c(-c2cccc(-c3cccc(-c4cc(CC)ccc4O)n3)n2)c1.[Cl-].[Cl-].[Cl-].[Mn+3].
What is the InChIKey of 4-ethyl-2-[6-[6-(5-ethyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese(3+);trichloride?
The InChIKey is ISPIRRCBHKXCJR-UHFFFAOYSA-K. The full InChI is InChI=1S/C26H24N2O2.3ClH.Mn/c1-3-17-11-13-25(29)19(15-17)21-7-5-9-23(27-21)24-10-6-8-22(28-24)20-16-18(4-2)12-14-26(20)30;;;;/h5-16,29-30H,3-4H2,1-2H3;3*1H;/q;;;;+3/p-3.
What are the key properties of 4-ethyl-2-[6-[6-(5-ethyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese(3+);trichloride?
4-ethyl-2-[6-[6-(5-ethyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese(3+);trichloride has a molecular weight of 557.79 g/mol, XLogP of -2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[6-[6-(5-ethyl-2-hydroxyphenyl)-2-pyridinyl]-2-pyridinyl]phenol;manganese(3+);trichloride is sourced from PubChem (CID 158793736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).