4-tert-butyl-2,6-bis[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol

C22H24N6O — CID 139044018

IUPAC4-tert-butyl-2,6-bis[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
SMILESCC(C)(C)c1cc(/C=N/Nc2ccccn2)c(O)c(/C=N/Nc2ccccn2)c1
InChIInChI=1S/C22H24N6O/c1-22(2,3)18-12-16(14-25-27-19-8-4-6-10-23-19)21(29)17(13-18)15-26-28-20-9-5-7-11-24-20/h4-15,29H,1-3H3,(H,23,27)(H,24,28)/b25-14+,26-15+
InChIKeyYDEHZADCFKJOAR-LVSXPEEVSA-N
MW388.48 g/mol
LogP4.37
Rot. Bonds6

About 4-tert-butyl-2,6-bis[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol

4-tert-butyl-2,6-bis[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol (PubChem CID 139044018) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 4-tert-butyl-2,6-bis[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol.

Molecular Properties

Compound Name4-tert-butyl-2,6-bis[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
PubChem CID139044018
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name4-tert-butyl-2,6-bis[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol
SMILESCC(C)(C)c1cc(/C=N/Nc2ccccn2)c(O)c(/C=N/Nc2ccccn2)c1
InChIInChI=1S/C22H24N6O/c1-22(2,3)18-12-16(14-25-27-19-8-4-6-10-23-19)21(29)17(13-18)15-26-28-20-9-5-7-11-24-20/h4-15,29H,1-3H3,(H,23,27)(H,24,28)/b25-14+,26-15+
InChIKeyYDEHZADCFKJOAR-LVSXPEEVSA-N
XLogP4.37
TPSA94.79 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-{[4-(pyridin-2-yl)piperazin-1-yl]imino}methyl]phenol
CID 135519103
1-[(Pyridin-2-ylhydrazinylidene)methyl]naphthalen-2-ol
CID 263867
3-[(Pyridin-2-ylhydrazinylidene)methyl]phenol
CID 263872
4-(6-Amino-5-methyl-3-pyridinyl)-2-[(cyclohexylamino)methyl]phenol
CID 44532117
4-[(E)-{2-[5-(trifluoromethyl)pyridin-2-yl]hydrazinylidene}methyl]phenol
CID 135459062
4-[6-Amino-5-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridinyl]-2,6-dimethylphenol
CID 44525554
4,4'-(2-Amino-4-methylpyridine-3,5-diyl)diphenol
CID 122531706
4,4'-(2-Amino-4-ethylpyridine-3,5-diyl)diphenol
CID 122531737
4-(2-Amino-4-ethyl-5-phenylpyridin-3-yl)phenol
CID 122531796
beta-Resorcylaldehyde, 2-pyridylhydrazone
CID 263866
4-[6-Amino-5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-pyridinyl]-2,6-dimethylphenol
CID 44525556
4-[6-Amino-5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-2,6-dimethylphenol
CID 155552326

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,6-bis[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol?
The IUPAC name of 4-tert-butyl-2,6-bis[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol (CID 139044018) is 4-tert-butyl-2,6-bis[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol.
What is the SMILES notation for 4-tert-butyl-2,6-bis[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol?
The canonical SMILES for 4-tert-butyl-2,6-bis[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol is CC(C)(C)c1cc(/C=N/Nc2ccccn2)c(O)c(/C=N/Nc2ccccn2)c1.
What is the InChIKey of 4-tert-butyl-2,6-bis[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol?
The InChIKey is YDEHZADCFKJOAR-LVSXPEEVSA-N. The full InChI is InChI=1S/C22H24N6O/c1-22(2,3)18-12-16(14-25-27-19-8-4-6-10-23-19)21(29)17(13-18)15-26-28-20-9-5-7-11-24-20/h4-15,29H,1-3H3,(H,23,27)(H,24,28)/b25-14+,26-15+.
What are the key properties of 4-tert-butyl-2,6-bis[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol?
4-tert-butyl-2,6-bis[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol has a molecular weight of 388.48 g/mol, XLogP of 4.37, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,6-bis[(E)-(pyridin-2-ylhydrazinylidene)methyl]phenol is sourced from PubChem (CID 139044018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).