9-[3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-9-[3,4-bis[2-(2-propoxyethoxy)ethylperoxy]phenyl]-2-methyl-7-(2-methylbutan-2-yl)fluorene

C59H86O16 — CID 126703321

About 9-[3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-9-[3,4-bis[2-(2-propoxyethoxy)ethylperoxy]phenyl]-2-methyl-7-(2-methylbutan-2-yl)fluorene

9-[3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-9-[3,4-bis[2-(2-propoxyethoxy)ethylperoxy]phenyl]-2-methyl-7-(2-methylbutan-2-yl)fluorene (PubChem CID 126703321) has the molecular formula C59H86O16 and a molecular weight of 1051.32 g/mol. Its IUPAC name is 9-[3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-9-[3,4-bis[2-(2-propoxyethoxy)ethylperoxy]phenyl]-2-methyl-7-(2-methylbutan-2-yl)fluorene.

Molecular Properties

• Compound Name: 9-[3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-9-[3,4-bis[2-(2-propoxyethoxy)ethylperoxy]phenyl]-2-methyl-7-(2-methylbutan-2-yl)fluorene
• PubChem CID: 126703321
• Molecular Formula: C59H86O16
• Molecular Weight: 1051.32 g/mol
• Exact Mass: 1050.59
• IUPAC Name: 9-[3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-9-[3,4-bis[2-(2-propoxyethoxy)ethylperoxy]phenyl]-2-methyl-7-(2-methylbutan-2-yl)fluorene
• SMILES: CCCOCCOCCOOc1ccc(C2(c3ccc(OCCOCCOCCOC)c(OCCOCCOCCOC)c3)c3cc(C)ccc3-c3ccc(C(C)(C)CC)cc32)cc1OOCCOCCOCCC
• InChI: InChI=1S/C59H86O16/c1-9-20-62-26-28-68-36-40-72-74-55-19-15-49(45-57(55)75-73-41-37-69-29-27-63-21-10-2)59(52-42-46(4)12-16-50(52)51-17-13-47(43-53(51)59)58(5,6)11-3)48-14-18-54(70-38-34-66-32-30-64-24-22-60-7)56(44-48)71-39-35-67-33-31-65-25-23-61-8/h12-19,42-45H,9-11,20-41H2,1-8H3
• InChIKey: AUYPKGDMLQWXJF-UHFFFAOYSA-N
• XLogP: 9.67
• TPSA: 147.68 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 44
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1051.32
LogP ≤ 5	9.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-[3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-9-[3,4-bis[2-(2-propoxyethoxy)ethylperoxy]phenyl]-2-methyl-7-(2-methylbutan-2-yl)fluorene?

The IUPAC name of 9-[3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-9-[3,4-bis[2-(2-propoxyethoxy)ethylperoxy]phenyl]-2-methyl-7-(2-methylbutan-2-yl)fluorene (CID 126703321) is 9-[3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-9-[3,4-bis[2-(2-propoxyethoxy)ethylperoxy]phenyl]-2-methyl-7-(2-methylbutan-2-yl)fluorene.

What is the SMILES notation for 9-[3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-9-[3,4-bis[2-(2-propoxyethoxy)ethylperoxy]phenyl]-2-methyl-7-(2-methylbutan-2-yl)fluorene?

The canonical SMILES for 9-[3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-9-[3,4-bis[2-(2-propoxyethoxy)ethylperoxy]phenyl]-2-methyl-7-(2-methylbutan-2-yl)fluorene is CCCOCCOCCOOc1ccc(C2(c3ccc(OCCOCCOCCOC)c(OCCOCCOCCOC)c3)c3cc(C)ccc3-c3ccc(C(C)(C)CC)cc32)cc1OOCCOCCOCCC.

What is the InChIKey of 9-[3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-9-[3,4-bis[2-(2-propoxyethoxy)ethylperoxy]phenyl]-2-methyl-7-(2-methylbutan-2-yl)fluorene?

The InChIKey is AUYPKGDMLQWXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H86O16/c1-9-20-62-26-28-68-36-40-72-74-55-19-15-49(45-57(55)75-73-41-37-69-29-27-63-21-10-2)59(52-42-46(4)12-16-50(52)51-17-13-47(43-53(51)59)58(5,6)11-3)48-14-18-54(70-38-34-66-32-30-64-24-22-60-7)56(44-48)71-39-35-67-33-31-65-25-23-61-8/h12-19,42-45H,9-11,20-41H2,1-8H3.

What are the key properties of 9-[3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-9-[3,4-bis[2-(2-propoxyethoxy)ethylperoxy]phenyl]-2-methyl-7-(2-methylbutan-2-yl)fluorene?

9-[3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-9-[3,4-bis[2-(2-propoxyethoxy)ethylperoxy]phenyl]-2-methyl-7-(2-methylbutan-2-yl)fluorene has a molecular weight of 1051.32 g/mol, XLogP of 9.67, 44 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[3,4-bis[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-9-[3,4-bis[2-(2-propoxyethoxy)ethylperoxy]phenyl]-2-methyl-7-(2-methylbutan-2-yl)fluorene is sourced from PubChem (CID 126703321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).