4-bromo-2-[[2-[[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]disulfanyl]phenyl]iminomethyl]phenol

C26H18Br2N2O2S2 — CID 136825488

IUPAC4-bromo-2-[[2-[[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]disulfanyl]phenyl]iminomethyl]phenol
SMILESOc1ccc(Br)cc1/C=N/c1ccccc1SSc1ccccc1/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C26H18Br2N2O2S2/c27-19-9-11-23(31)17(13-19)15-29-21-5-1-3-7-25(21)33-34-26-8-4-2-6-22(26)30-16-18-14-20(28)10-12-24(18)32/h1-16,31-32H/b29-15+,30-16+
InChIKeyXIKBTEUYTXUBRJ-CMNXJCJSSA-N
MW614.38 g/mol
LogP8.92
Rot. Bonds7

About 4-bromo-2-[[2-[[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]disulfanyl]phenyl]iminomethyl]phenol

4-bromo-2-[[2-[[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]disulfanyl]phenyl]iminomethyl]phenol (PubChem CID 136825488) has the molecular formula C26H18Br2N2O2S2 and a molecular weight of 614.38 g/mol. Its IUPAC name is 4-bromo-2-[[2-[[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]disulfanyl]phenyl]iminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[[2-[[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]disulfanyl]phenyl]iminomethyl]phenol
PubChem CID136825488
Molecular FormulaC26H18Br2N2O2S2
Molecular Weight614.38 g/mol
Exact Mass611.92
IUPAC Name4-bromo-2-[[2-[[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]disulfanyl]phenyl]iminomethyl]phenol
SMILESOc1ccc(Br)cc1/C=N/c1ccccc1SSc1ccccc1/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C26H18Br2N2O2S2/c27-19-9-11-23(31)17(13-19)15-29-21-5-1-3-7-25(21)33-34-26-8-4-2-6-22(26)30-16-18-14-20(28)10-12-24(18)32/h1-16,31-32H/b29-15+,30-16+
InChIKeyXIKBTEUYTXUBRJ-CMNXJCJSSA-N
XLogP8.92
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.38
LogP ≤ 58.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[(5-bromo-2-hydroxyphenyl)methylideneamino]anthracene-9,10-dione
CID 136880936
4-bromo-2-[(2,3-dichlorophenyl)iminomethyl]phenol
CID 710129
4-bromo-2-[(4-bromo-2-methylphenyl)iminomethyl]phenol
CID 135657405
2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4,5-dimethylphenol
CID 135633918
4-bromo-2-[(2,4-dichlorophenyl)iminomethyl]phenol
CID 780549
2-[(2-methylsulfanylphenyl)iminomethyl]phenol;titanium(3+);trichloride
CID 175288392
2-[(5-bromo-2-hydroxyphenyl)methylideneamino]-4,6-dimethylphenol
CID 779396
2-[[2-(1H-benzimidazol-2-yl)phenyl]iminomethyl]-4-bromophenol
CID 5140596
4-bromo-2-[(4-fluorophenyl)iminomethyl]phenol
CID 707393
4-bromo-2-[(4-sulfanylphenyl)iminomethyl]phenol
CID 135692449
3-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzonitrile
CID 721960
4-bromo-2-[(2-hydroxyphenyl)iminomethyl]-6-iodophenol
CID 137173243

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[[2-[[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]disulfanyl]phenyl]iminomethyl]phenol?
The IUPAC name of 4-bromo-2-[[2-[[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]disulfanyl]phenyl]iminomethyl]phenol (CID 136825488) is 4-bromo-2-[[2-[[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]disulfanyl]phenyl]iminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-[[2-[[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]disulfanyl]phenyl]iminomethyl]phenol?
The canonical SMILES for 4-bromo-2-[[2-[[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]disulfanyl]phenyl]iminomethyl]phenol is Oc1ccc(Br)cc1/C=N/c1ccccc1SSc1ccccc1/N=C/c1cc(Br)ccc1O.
What is the InChIKey of 4-bromo-2-[[2-[[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]disulfanyl]phenyl]iminomethyl]phenol?
The InChIKey is XIKBTEUYTXUBRJ-CMNXJCJSSA-N. The full InChI is InChI=1S/C26H18Br2N2O2S2/c27-19-9-11-23(31)17(13-19)15-29-21-5-1-3-7-25(21)33-34-26-8-4-2-6-22(26)30-16-18-14-20(28)10-12-24(18)32/h1-16,31-32H/b29-15+,30-16+.
What are the key properties of 4-bromo-2-[[2-[[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]disulfanyl]phenyl]iminomethyl]phenol?
4-bromo-2-[[2-[[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]disulfanyl]phenyl]iminomethyl]phenol has a molecular weight of 614.38 g/mol, XLogP of 8.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[[2-[[2-[(5-bromo-2-hydroxyphenyl)methylideneamino]phenyl]disulfanyl]phenyl]iminomethyl]phenol is sourced from PubChem (CID 136825488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).