9,9-dihexylfluorene

C25H34 — CID 5128449

IUPAC9,9-dihexylfluorene
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2ccccc21
InChIInChI=1S/C25H34/c1-3-5-7-13-19-25(20-14-8-6-4-2)23-17-11-9-15-21(23)22-16-10-12-18-24(22)25/h9-12,15-18H,3-8,13-14,19-20H2,1-2H3
InChIKeyLQQKFGSPUYTIRB-UHFFFAOYSA-N
MW334.55 g/mol
LogP7.89
Rot. Bonds10

About 9,9-dihexylfluorene

9,9-dihexylfluorene (PubChem CID 5128449) has the molecular formula C25H34 and a molecular weight of 334.55 g/mol. Its IUPAC name is 9,9-dihexylfluorene.

Molecular Properties

Compound Name9,9-dihexylfluorene
PubChem CID5128449
Molecular FormulaC25H34
Molecular Weight334.55 g/mol
Exact Mass334.27
IUPAC Name9,9-dihexylfluorene
SMILESCCCCCCC1(CCCCCC)c2ccccc2-c2ccccc21
InChIInChI=1S/C25H34/c1-3-5-7-13-19-25(20-14-8-6-4-2)23-17-11-9-15-21(23)22-16-10-12-18-24(22)25/h9-12,15-18H,3-8,13-14,19-20H2,1-2H3
InChIKeyLQQKFGSPUYTIRB-UHFFFAOYSA-N
XLogP7.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.55
LogP ≤ 57.89
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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Frequently Asked Questions

What is the IUPAC name of 9,9-dihexylfluorene?
The IUPAC name of 9,9-dihexylfluorene (CID 5128449) is 9,9-dihexylfluorene.
What is the SMILES notation for 9,9-dihexylfluorene?
The canonical SMILES for 9,9-dihexylfluorene is CCCCCCC1(CCCCCC)c2ccccc2-c2ccccc21.
What is the InChIKey of 9,9-dihexylfluorene?
The InChIKey is LQQKFGSPUYTIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34/c1-3-5-7-13-19-25(20-14-8-6-4-2)23-17-11-9-15-21(23)22-16-10-12-18-24(22)25/h9-12,15-18H,3-8,13-14,19-20H2,1-2H3.
What are the key properties of 9,9-dihexylfluorene?
9,9-dihexylfluorene has a molecular weight of 334.55 g/mol, XLogP of 7.89, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dihexylfluorene is sourced from PubChem (CID 5128449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).