3,4-dioctyl-9H-fluorene

C29H42 — CID 173498709

IUPAC3,4-dioctyl-9H-fluorene
SMILESCCCCCCCCc1ccc2c(c1CCCCCCCC)-c1ccccc1C2
InChIInChI=1S/C29H42/c1-3-5-7-9-11-13-17-24-21-22-26-23-25-18-15-16-20-28(25)29(26)27(24)19-14-12-10-8-6-4-2/h15-16,18,20-22H,3-14,17,19,23H2,1-2H3
InChIKeyKCFRRTHFCKZJGI-UHFFFAOYSA-N
MW390.66 g/mol
LogP9.06
Rot. Bonds14

About 3,4-dioctyl-9H-fluorene

3,4-dioctyl-9H-fluorene (PubChem CID 173498709) has the molecular formula C29H42 and a molecular weight of 390.66 g/mol. Its IUPAC name is 3,4-dioctyl-9H-fluorene.

Molecular Properties

Compound Name3,4-dioctyl-9H-fluorene
PubChem CID173498709
Molecular FormulaC29H42
Molecular Weight390.66 g/mol
Exact Mass390.33
IUPAC Name3,4-dioctyl-9H-fluorene
SMILESCCCCCCCCc1ccc2c(c1CCCCCCCC)-c1ccccc1C2
InChIInChI=1S/C29H42/c1-3-5-7-9-11-13-17-24-21-22-26-23-25-18-15-16-20-28(25)29(26)27(24)19-14-12-10-8-6-4-2/h15-16,18,20-22H,3-14,17,19,23H2,1-2H3
InChIKeyKCFRRTHFCKZJGI-UHFFFAOYSA-N
XLogP9.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.66
LogP ≤ 59.06
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

1,2-dihexyl-9H-fluorene
CID 22141601
1-butyl-2-decyl-9H-fluorene
CID 151429799
2-(9H-fluoren-1-yl)-3-heptyl-4-pentylphenol
CID 150413225
2-(9H-fluoren-1-yl)-3,4-dioctylphenol
CID 151912824
4-butyl-2-(9H-fluoren-1-yl)-3-octylphenol
CID 150998835
benzene;formamide;4-octyl-9H-fluorene
CID 175052278
1-hydroxy-2-pentyl-10H-anthracen-9-one
CID 175148432
9H-fluorene;henicosane
CID 174789372
1,2-dioctyl-9H-fluorene;thiophene
CID 174653713
3,4-dibromo-1,2-dihexyl-9H-fluorene
CID 23031046
9H-fluorene;nonylbenzene
CID 161236553
2-decyl-9H-fluorene
CID 21095311

Frequently Asked Questions

What is the IUPAC name of 3,4-dioctyl-9H-fluorene?
The IUPAC name of 3,4-dioctyl-9H-fluorene (CID 173498709) is 3,4-dioctyl-9H-fluorene.
What is the SMILES notation for 3,4-dioctyl-9H-fluorene?
The canonical SMILES for 3,4-dioctyl-9H-fluorene is CCCCCCCCc1ccc2c(c1CCCCCCCC)-c1ccccc1C2.
What is the InChIKey of 3,4-dioctyl-9H-fluorene?
The InChIKey is KCFRRTHFCKZJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42/c1-3-5-7-9-11-13-17-24-21-22-26-23-25-18-15-16-20-28(25)29(26)27(24)19-14-12-10-8-6-4-2/h15-16,18,20-22H,3-14,17,19,23H2,1-2H3.
What are the key properties of 3,4-dioctyl-9H-fluorene?
3,4-dioctyl-9H-fluorene has a molecular weight of 390.66 g/mol, XLogP of 9.06, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dioctyl-9H-fluorene is sourced from PubChem (CID 173498709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).