2-[2-[2-[2-[2-[2-[4-[9-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

C47H62O13 — CID 155473515

IUPAC2-[2-[2-[2-[2-[2-[4-[9-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESOCCOCCOCCOCCOCCOCCOc1ccc(C2(c3ccc(OCCOCCOCCOCCOCCO)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C47H62O13/c48-17-19-50-21-23-52-25-27-54-29-30-56-32-34-58-36-38-60-42-15-11-40(12-16-42)47(45-7-3-1-5-43(45)44-6-2-4-8-46(44)47)39-9-13-41(14-10-39)59-37-35-57-33-31-55-28-26-53-24-22-51-20-18-49/h1-16,48-49H,17-38H2
InChIKeyWJISMGVLXNMJEH-UHFFFAOYSA-N
MW835.00 g/mol
LogP4.94
Rot. Bonds35

About 2-[2-[2-[2-[2-[2-[4-[9-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[2-[2-[2-[4-[9-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 155473515) has the molecular formula C47H62O13 and a molecular weight of 835.00 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[4-[9-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[4-[9-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
PubChem CID155473515
Molecular FormulaC47H62O13
Molecular Weight835.00 g/mol
Exact Mass834.42
IUPAC Name2-[2-[2-[2-[2-[2-[4-[9-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
SMILESOCCOCCOCCOCCOCCOCCOc1ccc(C2(c3ccc(OCCOCCOCCOCCOCCO)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C47H62O13/c48-17-19-50-21-23-52-25-27-54-29-30-56-32-34-58-36-38-60-42-15-11-40(12-16-42)47(45-7-3-1-5-43(45)44-6-2-4-8-46(44)47)39-9-13-41(14-10-39)59-37-35-57-33-31-55-28-26-53-24-22-51-20-18-49/h1-16,48-49H,17-38H2
InChIKeyWJISMGVLXNMJEH-UHFFFAOYSA-N
XLogP4.94
TPSA141.99 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds35
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.00
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[4-[9-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-[2-[2-[4-[9-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (CID 155473515) is 2-[2-[2-[2-[2-[2-[4-[9-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[4-[9-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[4-[9-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is OCCOCCOCCOCCOCCOCCOc1ccc(C2(c3ccc(OCCOCCOCCOCCOCCO)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[4-[9-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is WJISMGVLXNMJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H62O13/c48-17-19-50-21-23-52-25-27-54-29-30-56-32-34-58-36-38-60-42-15-11-40(12-16-42)47(45-7-3-1-5-43(45)44-6-2-4-8-46(44)47)39-9-13-41(14-10-39)59-37-35-57-33-31-55-28-26-53-24-22-51-20-18-49/h1-16,48-49H,17-38H2.
What are the key properties of 2-[2-[2-[2-[2-[2-[4-[9-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[2-[2-[2-[4-[9-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 835.00 g/mol, XLogP of 4.94, 35 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[4-[9-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenyl]fluoren-9-yl]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 155473515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).