1,2-dihexyl-9H-fluorene

C25H34 — CID 22141601

IUPAC1,2-dihexyl-9H-fluorene
SMILESCCCCCCc1ccc2c(c1CCCCCC)Cc1ccccc1-2
InChIInChI=1S/C25H34/c1-3-5-7-9-13-20-17-18-24-23-16-12-11-14-21(23)19-25(24)22(20)15-10-8-6-4-2/h11-12,14,16-18H,3-10,13,15,19H2,1-2H3
InChIKeyOHWIQIVPGPMWHV-UHFFFAOYSA-N
MW334.55 g/mol
LogP7.50
Rot. Bonds10

About 1,2-dihexyl-9H-fluorene

1,2-dihexyl-9H-fluorene (PubChem CID 22141601) has the molecular formula C25H34 and a molecular weight of 334.55 g/mol. Its IUPAC name is 1,2-dihexyl-9H-fluorene.

Molecular Properties

Compound Name1,2-dihexyl-9H-fluorene
PubChem CID22141601
Molecular FormulaC25H34
Molecular Weight334.55 g/mol
Exact Mass334.27
IUPAC Name1,2-dihexyl-9H-fluorene
SMILESCCCCCCc1ccc2c(c1CCCCCC)Cc1ccccc1-2
InChIInChI=1S/C25H34/c1-3-5-7-9-13-20-17-18-24-23-16-12-11-14-21(23)19-25(24)22(20)15-10-8-6-4-2/h11-12,14,16-18H,3-10,13,15,19H2,1-2H3
InChIKeyOHWIQIVPGPMWHV-UHFFFAOYSA-N
XLogP7.50
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 ≤ 57.50
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-butyl-2-decyl-9H-fluorene
CID 151429799
1,2-dioctyl-9H-fluorene;thiophene
CID 174653713
1,2-bis(6-bromohexyl)-9H-fluorene
CID 172692386
1-hexyl-9H-fluoren-2-amine
CID 57359668
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
1-tert-butyl-2-decyl-9H-fluorene
CID 160798357
3,4-dioctyl-9H-fluorene
CID 173498709
(7,8-dioctyl-9H-fluoren-2-yl)boronic acid
CID 141103230
1,2,3-tributyl-9H-fluorene
CID 90984374
1,2-dioctyl-3-phenyl-9H-fluorene
CID 140695586

Frequently Asked Questions

What is the IUPAC name of 1,2-dihexyl-9H-fluorene?
The IUPAC name of 1,2-dihexyl-9H-fluorene (CID 22141601) is 1,2-dihexyl-9H-fluorene.
What is the SMILES notation for 1,2-dihexyl-9H-fluorene?
The canonical SMILES for 1,2-dihexyl-9H-fluorene is CCCCCCc1ccc2c(c1CCCCCC)Cc1ccccc1-2.
What is the InChIKey of 1,2-dihexyl-9H-fluorene?
The InChIKey is OHWIQIVPGPMWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34/c1-3-5-7-9-13-20-17-18-24-23-16-12-11-14-21(23)19-25(24)22(20)15-10-8-6-4-2/h11-12,14,16-18H,3-10,13,15,19H2,1-2H3.
What are the key properties of 1,2-dihexyl-9H-fluorene?
1,2-dihexyl-9H-fluorene has a molecular weight of 334.55 g/mol, XLogP of 7.50, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihexyl-9H-fluorene is sourced from PubChem (CID 22141601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).