9,9-di(docosyl)fluorene

C57H98 — CID 22568526

IUPAC9,9-di(docosyl)fluorene
SMILESCCCCCCCCCCCCCCCCCCCCCCC1(CCCCCCCCCCCCCCCCCCCCCC)c2ccccc2-c2ccccc21
InChIInChI=1S/C57H98/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-45-51-57(55-49-43-41-47-53(55)54-48-42-44-50-56(54)57)52-46-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h41-44,47-50H,3-40,45-46,51-52H2,1-2H3
InChIKeyZWSLHJLXUSACJD-UHFFFAOYSA-N
MW783.41 g/mol
LogP20.38
Rot. Bonds42

About 9,9-di(docosyl)fluorene

9,9-di(docosyl)fluorene (PubChem CID 22568526) has the molecular formula C57H98 and a molecular weight of 783.41 g/mol. Its IUPAC name is 9,9-di(docosyl)fluorene.

Molecular Properties

Compound Name9,9-di(docosyl)fluorene
PubChem CID22568526
Molecular FormulaC57H98
Molecular Weight783.41 g/mol
Exact Mass782.77
IUPAC Name9,9-di(docosyl)fluorene
SMILESCCCCCCCCCCCCCCCCCCCCCCC1(CCCCCCCCCCCCCCCCCCCCCC)c2ccccc2-c2ccccc21
InChIInChI=1S/C57H98/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-45-51-57(55-49-43-41-47-53(55)54-48-42-44-50-56(54)57)52-46-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h41-44,47-50H,3-40,45-46,51-52H2,1-2H3
InChIKeyZWSLHJLXUSACJD-UHFFFAOYSA-N
XLogP20.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds42
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500783.41
LogP ≤ 520.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9,9-didecylfluorene
CID 5135289
9,9-bis(10-nonylsulfanyldecyl)fluorene
CID 102382728
9,9-dioctylfluorene;ethane;fluoren-9-one;methane
CID 158051918
CID 162235627
CID 162235627
9,9-dioctylfluorene;2-methylpyrimidine
CID 174872093
2,7-dimethyl-9,9-dioctylfluorene;9,9-dioctylfluorene
CID 162081308
2-bromo-9,9-dihexylfluorene
CID 18674600
3-bromo-9,9-dioctylfluorene
CID 139567905
7,7,24,24-tetraoctylnonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4,6(14),8,10,12,15,19,21,23(31),25,27,29,32-pentadecaene
CID 101489887
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
2-ethenyl-9,9-dihexylfluorene
CID 86189845
4,4-dihexylindeno[1,2-b]thiophene
CID 58202963

Frequently Asked Questions

What is the IUPAC name of 9,9-di(docosyl)fluorene?
The IUPAC name of 9,9-di(docosyl)fluorene (CID 22568526) is 9,9-di(docosyl)fluorene.
What is the SMILES notation for 9,9-di(docosyl)fluorene?
The canonical SMILES for 9,9-di(docosyl)fluorene is CCCCCCCCCCCCCCCCCCCCCCC1(CCCCCCCCCCCCCCCCCCCCCC)c2ccccc2-c2ccccc21.
What is the InChIKey of 9,9-di(docosyl)fluorene?
The InChIKey is ZWSLHJLXUSACJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H98/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-45-51-57(55-49-43-41-47-53(55)54-48-42-44-50-56(54)57)52-46-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h41-44,47-50H,3-40,45-46,51-52H2,1-2H3.
What are the key properties of 9,9-di(docosyl)fluorene?
9,9-di(docosyl)fluorene has a molecular weight of 783.41 g/mol, XLogP of 20.38, 42 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-di(docosyl)fluorene is sourced from PubChem (CID 22568526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).