2,4-dibromo-6-[[3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol

C19H18Br4N2O2 — CID 139083032

IUPAC2,4-dibromo-6-[[3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol
SMILESCC(C)(C/N=C/c1cc(Br)cc(Br)c1O)C/N=C/c1cc(Br)cc(Br)c1O
InChIInChI=1S/C19H18Br4N2O2/c1-19(2,9-24-7-11-3-13(20)5-15(22)17(11)26)10-25-8-12-4-14(21)6-16(23)18(12)27/h3-8,26-27H,9-10H2,1-2H3/b24-7+,25-8+
InChIKeyPBFBQIWPKGKWKU-ZVRMNFOGSA-N
MW625.98 g/mol
LogP6.71
Rot. Bonds6

About 2,4-dibromo-6-[[3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol

2,4-dibromo-6-[[3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol (PubChem CID 139083032) has the molecular formula C19H18Br4N2O2 and a molecular weight of 625.98 g/mol. Its IUPAC name is 2,4-dibromo-6-[[3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dibromo-6-[[3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol
PubChem CID139083032
Molecular FormulaC19H18Br4N2O2
Molecular Weight625.98 g/mol
Exact Mass621.81
IUPAC Name2,4-dibromo-6-[[3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol
SMILESCC(C)(C/N=C/c1cc(Br)cc(Br)c1O)C/N=C/c1cc(Br)cc(Br)c1O
InChIInChI=1S/C19H18Br4N2O2/c1-19(2,9-24-7-11-3-13(20)5-15(22)17(11)26)10-25-8-12-4-14(21)6-16(23)18(12)27/h3-8,26-27H,9-10H2,1-2H3/b24-7+,25-8+
InChIKeyPBFBQIWPKGKWKU-ZVRMNFOGSA-N
XLogP6.71
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.98
LogP ≤ 56.71
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

2,4-dibromo-6-(ethyliminomethyl)phenol
CID 139079595
2,4-dibromo-6-[(2-methyl-2-morpholin-4-ium-4-ylpropyl)iminomethyl]phenol
CID 135730375
2,4-dibromo-6-[(E)-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylidenehydrazinylidene]methyl]phenol
CID 135459439
2,4-dibromo-6-(2-morpholin-4-ium-4-ylethyliminomethyl)phenol
CID 135595356
2,4-dibromo-6-[[4-[2-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]propan-2-yl]phenyl]iminomethyl]phenol
CID 4996119
(E)-4-[2-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]ethylamino]pent-3-en-2-one
CID 177490098
2-[[3-[(2-hydroxy-5-methoxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]-4-methoxyphenol
CID 137231962
4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3,5-dimethylphenol
CID 135689605
2-(4-tert-butylphenoxy)-N-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]acetamide
CID 4235876
2,4-dibromo-6-[(E)-[[4-(1,1-difluoroethyl)phenyl]hydrazinylidene]methyl]phenol
CID 137248796
bis(4-bromo-2-[[3-[(5-bromo-2-oxidophenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenolate);cobalt(2+);bis(cobalt(3+));diacetate;diisothiocyanate;trihydrate
CID 139205097
2,4-dibromo-6-[(2,6-dimethylphenyl)iminomethyl]phenol
CID 135501673

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-[[3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol?
The IUPAC name of 2,4-dibromo-6-[[3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol (CID 139083032) is 2,4-dibromo-6-[[3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol.
What is the SMILES notation for 2,4-dibromo-6-[[3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol?
The canonical SMILES for 2,4-dibromo-6-[[3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol is CC(C)(C/N=C/c1cc(Br)cc(Br)c1O)C/N=C/c1cc(Br)cc(Br)c1O.
What is the InChIKey of 2,4-dibromo-6-[[3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol?
The InChIKey is PBFBQIWPKGKWKU-ZVRMNFOGSA-N. The full InChI is InChI=1S/C19H18Br4N2O2/c1-19(2,9-24-7-11-3-13(20)5-15(22)17(11)26)10-25-8-12-4-14(21)6-16(23)18(12)27/h3-8,26-27H,9-10H2,1-2H3/b24-7+,25-8+.
What are the key properties of 2,4-dibromo-6-[[3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol?
2,4-dibromo-6-[[3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol has a molecular weight of 625.98 g/mol, XLogP of 6.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-[[3-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2,2-dimethylpropyl]iminomethyl]phenol is sourced from PubChem (CID 139083032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).