4-(9H-fluoren-1-yl)-2,6-dioctadecylphenol

C55H86O — CID 151971202

IUPAC4-(9H-fluoren-1-yl)-2,6-dioctadecylphenol
SMILESCCCCCCCCCCCCCCCCCCc1cc(-c2cccc3c2Cc2ccccc2-3)cc(CCCCCCCCCCCCCCCCCC)c1O
InChIInChI=1S/C55H86O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-48-44-50(52-42-37-43-53-51-41-36-35-38-47(51)46-54(52)53)45-49(55(48)56)40-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-38,41-45,56H,3-34,39-40,46H2,1-2H3
InChIKeyUARYJKHZSYUXOD-UHFFFAOYSA-N
MW763.29 g/mol
LogP18.24
Rot. Bonds35

About 4-(9H-fluoren-1-yl)-2,6-dioctadecylphenol

4-(9H-fluoren-1-yl)-2,6-dioctadecylphenol (PubChem CID 151971202) has the molecular formula C55H86O and a molecular weight of 763.29 g/mol. Its IUPAC name is 4-(9H-fluoren-1-yl)-2,6-dioctadecylphenol.

Molecular Properties

Compound Name4-(9H-fluoren-1-yl)-2,6-dioctadecylphenol
PubChem CID151971202
Molecular FormulaC55H86O
Molecular Weight763.29 g/mol
Exact Mass762.67
IUPAC Name4-(9H-fluoren-1-yl)-2,6-dioctadecylphenol
SMILESCCCCCCCCCCCCCCCCCCc1cc(-c2cccc3c2Cc2ccccc2-3)cc(CCCCCCCCCCCCCCCCCC)c1O
InChIInChI=1S/C55H86O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-48-44-50(52-42-37-43-53-51-41-36-35-38-47(51)46-54(52)53)45-49(55(48)56)40-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-38,41-45,56H,3-34,39-40,46H2,1-2H3
InChIKeyUARYJKHZSYUXOD-UHFFFAOYSA-N
XLogP18.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds35
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.29
LogP ≤ 518.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-4-(9H-fluoren-1-yl)phenol
CID 139434152
2-(9H-fluoren-1-yl)-3-heptyl-4-pentylphenol
CID 150413225
2-(9H-fluoren-1-yl)-3,4-dioctylphenol
CID 151912824
2-(9H-fluoren-1-yl)-4-nonylphenol
CID 152722460
4-butyl-2-(9H-fluoren-1-yl)-3-octylphenol
CID 150998835
1,2-dihexyl-9H-fluorene
CID 22141601
1-butyl-2-decyl-9H-fluorene
CID 151429799
1-tert-butyl-2-decyl-9H-fluorene
CID 160798357
butane;9H-fluorene;1-hexyl-9H-fluorene;zirconium
CID 173317551
2-butyl-1-phenyl-9H-fluorene
CID 154085968
1,2-bis(4-octadecylphenyl)-9H-fluorene
CID 150394649
9H-fluorene;henicosane
CID 174789372

Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-1-yl)-2,6-dioctadecylphenol?
The IUPAC name of 4-(9H-fluoren-1-yl)-2,6-dioctadecylphenol (CID 151971202) is 4-(9H-fluoren-1-yl)-2,6-dioctadecylphenol.
What is the SMILES notation for 4-(9H-fluoren-1-yl)-2,6-dioctadecylphenol?
The canonical SMILES for 4-(9H-fluoren-1-yl)-2,6-dioctadecylphenol is CCCCCCCCCCCCCCCCCCc1cc(-c2cccc3c2Cc2ccccc2-3)cc(CCCCCCCCCCCCCCCCCC)c1O.
What is the InChIKey of 4-(9H-fluoren-1-yl)-2,6-dioctadecylphenol?
The InChIKey is UARYJKHZSYUXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H86O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39-48-44-50(52-42-37-43-53-51-41-36-35-38-47(51)46-54(52)53)45-49(55(48)56)40-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-38,41-45,56H,3-34,39-40,46H2,1-2H3.
What are the key properties of 4-(9H-fluoren-1-yl)-2,6-dioctadecylphenol?
4-(9H-fluoren-1-yl)-2,6-dioctadecylphenol has a molecular weight of 763.29 g/mol, XLogP of 18.24, 35 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-1-yl)-2,6-dioctadecylphenol is sourced from PubChem (CID 151971202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).