2,4-ditert-butyl-6-[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol

C34H52N2O2 — CID 136814344

IUPAC2,4-ditert-butyl-6-[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol
SMILESCC(CC/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1O)/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C34H52N2O2/c1-22(36-21-24-17-26(32(5,6)7)19-28(30(24)38)34(11,12)13)14-15-35-20-23-16-25(31(2,3)4)18-27(29(23)37)33(8,9)10/h16-22,37-38H,14-15H2,1-13H3/b35-20+,36-21+
InChIKeyRJDJNCRPJROGPC-CJVLSJCWSA-N
MW520.80 g/mol
LogP8.60
Rot. Bonds6

About 2,4-ditert-butyl-6-[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol

2,4-ditert-butyl-6-[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol (PubChem CID 136814344) has the molecular formula C34H52N2O2 and a molecular weight of 520.80 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol
PubChem CID136814344
Molecular FormulaC34H52N2O2
Molecular Weight520.80 g/mol
Exact Mass520.40
IUPAC Name2,4-ditert-butyl-6-[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol
SMILESCC(CC/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1O)/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C34H52N2O2/c1-22(36-21-24-17-26(32(5,6)7)19-28(30(24)38)34(11,12)13)14-15-35-20-23-16-25(31(2,3)4)18-27(29(23)37)33(8,9)10/h16-22,37-38H,14-15H2,1-13H3/b35-20+,36-21+
InChIKeyRJDJNCRPJROGPC-CJVLSJCWSA-N
XLogP8.60
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.80
LogP ≤ 58.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

CID 173215314
CID 173215314
2-(2-aminoethyliminomethyl)-4,6-ditert-butylphenol;cobalt
CID 175001067
2,4-ditert-butyl-6-[3-[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]propylamino]propyliminomethyl]phenol
CID 136835563
2,4-ditert-butyl-6-[3-[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]propyl-methylamino]propyliminomethyl]phenol
CID 136790281
2-tert-butyl-6-[2-[[3-tert-butyl-2-hydroxy-5-(3-methylbutyl)phenyl]methylideneamino]ethyliminomethyl]-4-(3-methylbutyl)phenol
CID 137148529
(2R)-2,3-bis[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]propanoic acid
CID 139161245
[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]aluminum(2+)
CID 173083776
CID 135424911
CID 135424911
2-tert-butyl-6-[3-[[3-tert-butyl-2-hydroxy-5-(2-methylpropyl)phenyl]methylideneamino]propyliminomethyl]-4-(2-methylpropyl)phenol
CID 137069343
CID 173199978
CID 173199978
2-(benzhydryliminomethyl)-4,6-ditert-butylphenol
CID 135516520
2-tert-butyl-6-[2-[(3-tert-butyl-2-hydroxy-5-iodophenyl)methylideneamino]ethyliminomethyl]-4-iodophenol
CID 136835032

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol (CID 136814344) is 2,4-ditert-butyl-6-[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol is CC(CC/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1O)/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,4-ditert-butyl-6-[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol?
The InChIKey is RJDJNCRPJROGPC-CJVLSJCWSA-N. The full InChI is InChI=1S/C34H52N2O2/c1-22(36-21-24-17-26(32(5,6)7)19-28(30(24)38)34(11,12)13)14-15-35-20-23-16-25(31(2,3)4)18-27(29(23)37)33(8,9)10/h16-22,37-38H,14-15H2,1-13H3/b35-20+,36-21+.
What are the key properties of 2,4-ditert-butyl-6-[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol?
2,4-ditert-butyl-6-[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol has a molecular weight of 520.80 g/mol, XLogP of 8.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[3-[(3,5-ditert-butyl-2-hydroxyphenyl)methylideneamino]butyliminomethyl]phenol is sourced from PubChem (CID 136814344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).