3-bromo-1-[3-bromo-2-[2-[2-[2-[2-[3-bromo-1-(3-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]naphthalen-2-ol

C48H38Br4O7 — CID 66557323

About 3-bromo-1-[3-bromo-2-[2-[2-[2-[2-[3-bromo-1-(3-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]naphthalen-2-ol

3-bromo-1-[3-bromo-2-[2-[2-[2-[2-[3-bromo-1-(3-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]naphthalen-2-ol (PubChem CID 66557323) has the molecular formula C48H38Br4O7 and a molecular weight of 1046.44 g/mol. Its IUPAC name is 3-bromo-1-[3-bromo-2-[2-[2-[2-[2-[3-bromo-1-(3-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]naphthalen-2-ol.

Molecular Properties

• Compound Name: 3-bromo-1-[3-bromo-2-[2-[2-[2-[2-[3-bromo-1-(3-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]naphthalen-2-ol
• PubChem CID: 66557323
• Molecular Formula: C48H38Br4O7
• Molecular Weight: 1046.44 g/mol
• Exact Mass: 1041.94
• IUPAC Name: 3-bromo-1-[3-bromo-2-[2-[2-[2-[2-[3-bromo-1-(3-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]naphthalen-2-ol
• SMILES: Oc1c(Br)cc2ccccc2c1-c1c(OCCOCCOCCOCCOc2c(Br)cc3ccccc3c2-c2c(O)c(Br)cc3ccccc23)c(Br)cc2ccccc12
• InChI: InChI=1S/C48H38Br4O7/c49-37-25-29-9-1-5-13-33(29)41(45(37)53)43-35-15-7-3-11-31(35)27-39(51)47(43)58-23-21-56-19-17-55-18-20-57-22-24-59-48-40(52)28-32-12-4-8-16-36(32)44(48)42-34-14-6-2-10-30(34)26-38(50)46(42)54/h1-16,25-28,53-54H,17-24H2
• InChIKey: DZXWTUIPOFRWHW-UHFFFAOYSA-N
• XLogP: 13.60
• TPSA: 86.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 16
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1046.44
LogP ≤ 5	13.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-[3-bromo-2-[2-[2-[2-[2-[3-bromo-1-(3-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]naphthalen-2-ol?

The IUPAC name of 3-bromo-1-[3-bromo-2-[2-[2-[2-[2-[3-bromo-1-(3-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]naphthalen-2-ol (CID 66557323) is 3-bromo-1-[3-bromo-2-[2-[2-[2-[2-[3-bromo-1-(3-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]naphthalen-2-ol.

What is the SMILES notation for 3-bromo-1-[3-bromo-2-[2-[2-[2-[2-[3-bromo-1-(3-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]naphthalen-2-ol?

The canonical SMILES for 3-bromo-1-[3-bromo-2-[2-[2-[2-[2-[3-bromo-1-(3-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]naphthalen-2-ol is Oc1c(Br)cc2ccccc2c1-c1c(OCCOCCOCCOCCOc2c(Br)cc3ccccc3c2-c2c(O)c(Br)cc3ccccc23)c(Br)cc2ccccc12.

What is the InChIKey of 3-bromo-1-[3-bromo-2-[2-[2-[2-[2-[3-bromo-1-(3-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]naphthalen-2-ol?

The InChIKey is DZXWTUIPOFRWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38Br4O7/c49-37-25-29-9-1-5-13-33(29)41(45(37)53)43-35-15-7-3-11-31(35)27-39(51)47(43)58-23-21-56-19-17-55-18-20-57-22-24-59-48-40(52)28-32-12-4-8-16-36(32)44(48)42-34-14-6-2-10-30(34)26-38(50)46(42)54/h1-16,25-28,53-54H,17-24H2.

What are the key properties of 3-bromo-1-[3-bromo-2-[2-[2-[2-[2-[3-bromo-1-(3-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]naphthalen-2-ol?

3-bromo-1-[3-bromo-2-[2-[2-[2-[2-[3-bromo-1-(3-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]naphthalen-2-ol has a molecular weight of 1046.44 g/mol, XLogP of 13.60, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-1-[3-bromo-2-[2-[2-[2-[2-[3-bromo-1-(3-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]naphthalen-1-yl]naphthalen-2-ol is sourced from PubChem (CID 66557323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).