4-bromo-2-[[4-[4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-methoxyphenol

C28H22Br2N2O4 — CID 135619923

IUPAC4-bromo-2-[[4-[4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-methoxyphenol
SMILESCOc1cc(Br)cc(/C=N/c2ccc(-c3ccc(/N=C/c4cc(Br)cc(OC)c4O)cc3)cc2)c1O
InChIInChI=1S/C28H22Br2N2O4/c1-35-25-13-21(29)11-19(27(25)33)15-31-23-7-3-17(4-8-23)18-5-9-24(10-6-18)32-16-20-12-22(30)14-26(36-2)28(20)34/h3-16,33-34H,1-2H3/b31-15+,32-16+
InChIKeyYPFQNXNUJQZQGW-IHXWQEJPSA-N
MW610.30 g/mol
LogP7.81
Rot. Bonds7

About 4-bromo-2-[[4-[4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-methoxyphenol

4-bromo-2-[[4-[4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-methoxyphenol (PubChem CID 135619923) has the molecular formula C28H22Br2N2O4 and a molecular weight of 610.30 g/mol. Its IUPAC name is 4-bromo-2-[[4-[4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-methoxyphenol.

Molecular Properties

Compound Name4-bromo-2-[[4-[4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-methoxyphenol
PubChem CID135619923
Molecular FormulaC28H22Br2N2O4
Molecular Weight610.30 g/mol
Exact Mass607.99
IUPAC Name4-bromo-2-[[4-[4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-methoxyphenol
SMILESCOc1cc(Br)cc(/C=N/c2ccc(-c3ccc(/N=C/c4cc(Br)cc(OC)c4O)cc3)cc2)c1O
InChIInChI=1S/C28H22Br2N2O4/c1-35-25-13-21(29)11-19(27(25)33)15-31-23-7-3-17(4-8-23)18-5-9-24(10-6-18)32-16-20-12-22(30)14-26(36-2)28(20)34/h3-16,33-34H,1-2H3/b31-15+,32-16+
InChIKeyYPFQNXNUJQZQGW-IHXWQEJPSA-N
XLogP7.81
TPSA83.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.30
LogP ≤ 57.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-methoxy-6-[(4-methylphenyl)iminomethyl]phenol
CID 1478235
4-bromo-2-[[4-[4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]-6-methoxyphenol
CID 135619911
4-bromo-2-[(4-iodophenyl)iminomethyl]-6-methoxyphenol
CID 3414958
4-bromo-2-[(4-bromo-2,6-dimethylphenyl)iminomethyl]-6-methoxyphenol
CID 3446470
4-bromo-2-[(3-chloro-4-methylphenyl)iminomethyl]-6-methoxyphenol
CID 135592590
4-bromo-2-methoxy-6-[[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]phenol
CID 1121865
methyl 3-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]benzoate
CID 1480080
4-bromo-2-methoxy-6-[[3-(trifluoromethyl)phenyl]iminomethyl]phenol
CID 1377778
4-bromo-2-[(2,5-dimethoxyphenyl)iminomethyl]-6-methoxyphenol
CID 135592582
4-bromo-2-methoxy-6-[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenol
CID 1121877
4-bromo-2-methoxy-6-[(5-methyl-2-pyridinyl)iminomethyl]phenol
CID 871909
4-bromo-2-[(5-chloro-2-methylphenyl)iminomethyl]-6-methoxyphenol
CID 1378103

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[[4-[4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-methoxyphenol?
The IUPAC name of 4-bromo-2-[[4-[4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-methoxyphenol (CID 135619923) is 4-bromo-2-[[4-[4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-methoxyphenol.
What is the SMILES notation for 4-bromo-2-[[4-[4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-methoxyphenol?
The canonical SMILES for 4-bromo-2-[[4-[4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-methoxyphenol is COc1cc(Br)cc(/C=N/c2ccc(-c3ccc(/N=C/c4cc(Br)cc(OC)c4O)cc3)cc2)c1O.
What is the InChIKey of 4-bromo-2-[[4-[4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-methoxyphenol?
The InChIKey is YPFQNXNUJQZQGW-IHXWQEJPSA-N. The full InChI is InChI=1S/C28H22Br2N2O4/c1-35-25-13-21(29)11-19(27(25)33)15-31-23-7-3-17(4-8-23)18-5-9-24(10-6-18)32-16-20-12-22(30)14-26(36-2)28(20)34/h3-16,33-34H,1-2H3/b31-15+,32-16+.
What are the key properties of 4-bromo-2-[[4-[4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-methoxyphenol?
4-bromo-2-[[4-[4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-methoxyphenol has a molecular weight of 610.30 g/mol, XLogP of 7.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[[4-[4-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-methoxyphenol is sourced from PubChem (CID 135619923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).