2,6-ditert-butyl-4-[(Z)-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol

C30H44N2O2 — CID 135909999

IUPAC2,6-ditert-butyl-4-[(Z)-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
SMILESCC(C)(C)c1cc(/C=N\N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
InChIInChI=1S/C30H44N2O2/c1-27(2,3)21-13-19(14-22(25(21)33)28(4,5)6)17-31-32-18-20-15-23(29(7,8)9)26(34)24(16-20)30(10,11)12/h13-18,33-34H,1-12H3/b31-17-,32-18-
InChIKeyMNLPVCKWDQIWIK-KUUUIRGPSA-N
MW464.69 g/mol
LogP7.74
Rot. Bonds3

About 2,6-ditert-butyl-4-[(Z)-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol

2,6-ditert-butyl-4-[(Z)-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol (PubChem CID 135909999) has the molecular formula C30H44N2O2 and a molecular weight of 464.69 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[(Z)-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[(Z)-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
PubChem CID135909999
Molecular FormulaC30H44N2O2
Molecular Weight464.69 g/mol
Exact Mass464.34
IUPAC Name2,6-ditert-butyl-4-[(Z)-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
SMILESCC(C)(C)c1cc(/C=N\N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O
InChIInChI=1S/C30H44N2O2/c1-27(2,3)21-13-19(14-22(25(21)33)28(4,5)6)17-31-32-18-20-15-23(29(7,8)9)26(34)24(16-20)30(10,11)12/h13-18,33-34H,1-12H3/b31-17-,32-18-
InChIKeyMNLPVCKWDQIWIK-KUUUIRGPSA-N
XLogP7.74
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.69
LogP ≤ 57.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

2,6-ditert-butyl-4-[(E)-(methylhydrazinylidene)methyl]phenol;methane
CID 172972510
3,5-ditert-butyl-N-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 135437571
2,6-ditert-butyl-4-(2,2-diaminoethenyl)phenol
CID 88941839
4-chloro-N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]benzamide
CID 136767804
2,6-ditert-butyl-4-[(Z)-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]methyl]phenol
CID 136758778
2,6-ditert-butyl-4-[(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)iminomethyl]phenol
CID 4225746
(E)-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enoic acid
CID 689095
2-tert-butyl-4-[(E)-2-(3-tert-butyl-4-hydroxy-5-methylphenyl)ethenyl]-6-methylphenol
CID 22321426
N-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-2-hydroxy-2,2-diphenylacetamide
CID 136794022
5-bromo-3-tert-butyl-N-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-2-hydroxy-6-methylbenzamide
CID 176884477
(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylidene-hydroxy-propan-2-ylazanium
CID 143106574
tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[(Z)-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[(Z)-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol (CID 135909999) is 2,6-ditert-butyl-4-[(Z)-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[(Z)-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[(Z)-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol is CC(C)(C)c1cc(/C=N\N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,6-ditert-butyl-4-[(Z)-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol?
The InChIKey is MNLPVCKWDQIWIK-KUUUIRGPSA-N. The full InChI is InChI=1S/C30H44N2O2/c1-27(2,3)21-13-19(14-22(25(21)33)28(4,5)6)17-31-32-18-20-15-23(29(7,8)9)26(34)24(16-20)30(10,11)12/h13-18,33-34H,1-12H3/b31-17-,32-18-.
What are the key properties of 2,6-ditert-butyl-4-[(Z)-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol?
2,6-ditert-butyl-4-[(Z)-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol has a molecular weight of 464.69 g/mol, XLogP of 7.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[(Z)-[(Z)-(3,5-ditert-butyl-4-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol is sourced from PubChem (CID 135909999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).