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

C29H22Br4N2O2 — CID 4996119

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

2,4-dibromo-6-[[4-[2-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]propan-2-yl]phenyl]iminomethyl]phenol (PubChem CID 4996119) has the molecular formula C29H22Br4N2O2 and a molecular weight of 750.12 g/mol. Its IUPAC name is 2,4-dibromo-6-[[4-[2-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]propan-2-yl]phenyl]iminomethyl]phenol.

Molecular Properties

• Compound Name: 2,4-dibromo-6-[[4-[2-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]propan-2-yl]phenyl]iminomethyl]phenol
• PubChem CID: 4996119
• Molecular Formula: C29H22Br4N2O2
• Molecular Weight: 750.12 g/mol
• Exact Mass: 745.84
• IUPAC Name: 2,4-dibromo-6-[[4-[2-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]propan-2-yl]phenyl]iminomethyl]phenol
• SMILES: CC(C)(c1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1)c1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1
• InChI: InChI=1S/C29H22Br4N2O2/c1-29(2,19-3-7-23(8-4-19)34-15-17-11-21(30)13-25(32)27(17)36)20-5-9-24(10-6-20)35-16-18-12-22(31)14-26(33)28(18)37/h3-16,36-37H,1-2H3/b34-15+,35-16+
• InChIKey: KZGFCBNQHCKMRJ-UEHCFGNHSA-N
• XLogP: 9.97
• TPSA: 65.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	750.12
LogP ≤ 5	9.97
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 2,4-dibromo-6-[[4-[2-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]propan-2-yl]phenyl]iminomethyl]phenol?

The IUPAC name of 2,4-dibromo-6-[[4-[2-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]propan-2-yl]phenyl]iminomethyl]phenol (CID 4996119) is 2,4-dibromo-6-[[4-[2-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]propan-2-yl]phenyl]iminomethyl]phenol.

What is the SMILES notation for 2,4-dibromo-6-[[4-[2-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]propan-2-yl]phenyl]iminomethyl]phenol?

The canonical SMILES for 2,4-dibromo-6-[[4-[2-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]propan-2-yl]phenyl]iminomethyl]phenol is CC(C)(c1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1)c1ccc(/N=C/c2cc(Br)cc(Br)c2O)cc1.

What is the InChIKey of 2,4-dibromo-6-[[4-[2-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]propan-2-yl]phenyl]iminomethyl]phenol?

The InChIKey is KZGFCBNQHCKMRJ-UEHCFGNHSA-N. The full InChI is InChI=1S/C29H22Br4N2O2/c1-29(2,19-3-7-23(8-4-19)34-15-17-11-21(30)13-25(32)27(17)36)20-5-9-24(10-6-20)35-16-18-12-22(31)14-26(33)28(18)37/h3-16,36-37H,1-2H3/b34-15+,35-16+.

What are the key properties of 2,4-dibromo-6-[[4-[2-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]propan-2-yl]phenyl]iminomethyl]phenol?

2,4-dibromo-6-[[4-[2-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]propan-2-yl]phenyl]iminomethyl]phenol has a molecular weight of 750.12 g/mol, XLogP of 9.97, 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-[[4-[2-[4-[(3,5-dibromo-2-hydroxyphenyl)methylideneamino]phenyl]propan-2-yl]phenyl]iminomethyl]phenol is sourced from PubChem (CID 4996119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).