4-bromo-2-[[2-[2-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-tert-butylphenol

C34H34Br2N2O2 — CID 3095687

About 4-bromo-2-[[2-[2-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-tert-butylphenol

4-bromo-2-[[2-[2-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-tert-butylphenol (PubChem CID 3095687) has the molecular formula C34H34Br2N2O2 and a molecular weight of 662.47 g/mol. Its IUPAC name is 4-bromo-2-[[2-[2-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-tert-butylphenol.

Molecular Properties

• Compound Name: 4-bromo-2-[[2-[2-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-tert-butylphenol
• PubChem CID: 3095687
• Molecular Formula: C34H34Br2N2O2
• Molecular Weight: 662.47 g/mol
• Exact Mass: 660.10
• IUPAC Name: 4-bromo-2-[[2-[2-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-tert-butylphenol
• SMILES: CC(C)(C)c1cc(Br)cc(/C=N/c2ccccc2-c2ccccc2/N=C/c2cc(Br)cc(C(C)(C)C)c2O)c1O
• InChI: InChI=1S/C34H34Br2N2O2/c1-33(2,3)27-17-23(35)15-21(31(27)39)19-37-29-13-9-7-11-25(29)26-12-8-10-14-30(26)38-20-22-16-24(36)18-28(32(22)40)34(4,5)6/h7-20,39-40H,1-6H3/b37-19+,38-20+
• InChIKey: LJGZBHXBFQFUNJ-RIOOQTRLSA-N
• XLogP: 10.39
• TPSA: 65.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	662.47
LogP ≤ 5	10.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[[2-[2-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-tert-butylphenol?

The IUPAC name of 4-bromo-2-[[2-[2-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-tert-butylphenol (CID 3095687) is 4-bromo-2-[[2-[2-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-tert-butylphenol.

What is the SMILES notation for 4-bromo-2-[[2-[2-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-tert-butylphenol?

The canonical SMILES for 4-bromo-2-[[2-[2-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-tert-butylphenol is CC(C)(C)c1cc(Br)cc(/C=N/c2ccccc2-c2ccccc2/N=C/c2cc(Br)cc(C(C)(C)C)c2O)c1O.

What is the InChIKey of 4-bromo-2-[[2-[2-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-tert-butylphenol?

The InChIKey is LJGZBHXBFQFUNJ-RIOOQTRLSA-N. The full InChI is InChI=1S/C34H34Br2N2O2/c1-33(2,3)27-17-23(35)15-21(31(27)39)19-37-29-13-9-7-11-25(29)26-12-8-10-14-30(26)38-20-22-16-24(36)18-28(32(22)40)34(4,5)6/h7-20,39-40H,1-6H3/b37-19+,38-20+.

What are the key properties of 4-bromo-2-[[2-[2-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-tert-butylphenol?

4-bromo-2-[[2-[2-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-tert-butylphenol has a molecular weight of 662.47 g/mol, XLogP of 10.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-2-[[2-[2-[(5-bromo-3-tert-butyl-2-hydroxyphenyl)methylideneamino]phenyl]phenyl]iminomethyl]-6-tert-butylphenol is sourced from PubChem (CID 3095687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).