1,5-dibromo-3-[2-[3,5-dibromo-2-(2,3-dibromopropoxy)phenyl]propan-2-yl]-2-(2,3-dibromopropoxy)benzene

C21H20Br8O2 — CID 20503938

About 1,5-dibromo-3-[2-[3,5-dibromo-2-(2,3-dibromopropoxy)phenyl]propan-2-yl]-2-(2,3-dibromopropoxy)benzene

1,5-dibromo-3-[2-[3,5-dibromo-2-(2,3-dibromopropoxy)phenyl]propan-2-yl]-2-(2,3-dibromopropoxy)benzene (PubChem CID 20503938) has the molecular formula C21H20Br8O2 and a molecular weight of 943.62 g/mol. Its IUPAC name is 1,5-dibromo-3-[2-[3,5-dibromo-2-(2,3-dibromopropoxy)phenyl]propan-2-yl]-2-(2,3-dibromopropoxy)benzene.

Molecular Properties

• Compound Name: 1,5-dibromo-3-[2-[3,5-dibromo-2-(2,3-dibromopropoxy)phenyl]propan-2-yl]-2-(2,3-dibromopropoxy)benzene
• PubChem CID: 20503938
• Molecular Formula: C21H20Br8O2
• Molecular Weight: 943.62 g/mol
• Exact Mass: 935.49
• IUPAC Name: 1,5-dibromo-3-[2-[3,5-dibromo-2-(2,3-dibromopropoxy)phenyl]propan-2-yl]-2-(2,3-dibromopropoxy)benzene
• SMILES: CC(C)(c1cc(Br)cc(Br)c1OCC(Br)CBr)c1cc(Br)cc(Br)c1OCC(Br)CBr
• InChI: InChI=1S/C21H20Br8O2/c1-21(2,15-3-11(24)5-17(28)19(15)30-9-13(26)7-22)16-4-12(25)6-18(29)20(16)31-10-14(27)8-23/h3-6,13-14H,7-10H2,1-2H3
• InChIKey: QIHYSUSBINZGSV-UHFFFAOYSA-N
• XLogP: 10.14
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	943.62
LogP ≤ 5	10.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,5-dibromo-3-[2-[3,5-dibromo-2-(2,3-dibromopropoxy)phenyl]propan-2-yl]-2-(2,3-dibromopropoxy)benzene?

The IUPAC name of 1,5-dibromo-3-[2-[3,5-dibromo-2-(2,3-dibromopropoxy)phenyl]propan-2-yl]-2-(2,3-dibromopropoxy)benzene (CID 20503938) is 1,5-dibromo-3-[2-[3,5-dibromo-2-(2,3-dibromopropoxy)phenyl]propan-2-yl]-2-(2,3-dibromopropoxy)benzene.

What is the SMILES notation for 1,5-dibromo-3-[2-[3,5-dibromo-2-(2,3-dibromopropoxy)phenyl]propan-2-yl]-2-(2,3-dibromopropoxy)benzene?

The canonical SMILES for 1,5-dibromo-3-[2-[3,5-dibromo-2-(2,3-dibromopropoxy)phenyl]propan-2-yl]-2-(2,3-dibromopropoxy)benzene is CC(C)(c1cc(Br)cc(Br)c1OCC(Br)CBr)c1cc(Br)cc(Br)c1OCC(Br)CBr.

What is the InChIKey of 1,5-dibromo-3-[2-[3,5-dibromo-2-(2,3-dibromopropoxy)phenyl]propan-2-yl]-2-(2,3-dibromopropoxy)benzene?

The InChIKey is QIHYSUSBINZGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Br8O2/c1-21(2,15-3-11(24)5-17(28)19(15)30-9-13(26)7-22)16-4-12(25)6-18(29)20(16)31-10-14(27)8-23/h3-6,13-14H,7-10H2,1-2H3.

What are the key properties of 1,5-dibromo-3-[2-[3,5-dibromo-2-(2,3-dibromopropoxy)phenyl]propan-2-yl]-2-(2,3-dibromopropoxy)benzene?

1,5-dibromo-3-[2-[3,5-dibromo-2-(2,3-dibromopropoxy)phenyl]propan-2-yl]-2-(2,3-dibromopropoxy)benzene has a molecular weight of 943.62 g/mol, XLogP of 10.14, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1,5-dibromo-3-[2-[3,5-dibromo-2-(2,3-dibromopropoxy)phenyl]propan-2-yl]-2-(2,3-dibromopropoxy)benzene is sourced from PubChem (CID 20503938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).