1,2-bis(6-bromohexyl)-9H-fluorene

C25H32Br2 — CID 172692386

IUPAC1,2-bis(6-bromohexyl)-9H-fluorene
SMILESBrCCCCCCc1ccc2c(c1CCCCCCBr)Cc1ccccc1-2
InChIInChI=1S/C25H32Br2/c26-17-9-3-1-5-11-20-15-16-24-23-14-8-7-12-21(23)19-25(24)22(20)13-6-2-4-10-18-27/h7-8,12,14-16H,1-6,9-11,13,17-19H2
InChIKeyBVVLNEXYMYCUCO-UHFFFAOYSA-N
MW492.34 g/mol
LogP8.25
Rot. Bonds12

About 1,2-bis(6-bromohexyl)-9H-fluorene

1,2-bis(6-bromohexyl)-9H-fluorene (PubChem CID 172692386) has the molecular formula C25H32Br2 and a molecular weight of 492.34 g/mol. Its IUPAC name is 1,2-bis(6-bromohexyl)-9H-fluorene.

Molecular Properties

Compound Name1,2-bis(6-bromohexyl)-9H-fluorene
PubChem CID172692386
Molecular FormulaC25H32Br2
Molecular Weight492.34 g/mol
Exact Mass490.09
IUPAC Name1,2-bis(6-bromohexyl)-9H-fluorene
SMILESBrCCCCCCc1ccc2c(c1CCCCCCBr)Cc1ccccc1-2
InChIInChI=1S/C25H32Br2/c26-17-9-3-1-5-11-20-15-16-24-23-14-8-7-12-21(23)19-25(24)22(20)13-6-2-4-10-18-27/h7-8,12,14-16H,1-6,9-11,13,17-19H2
InChIKeyBVVLNEXYMYCUCO-UHFFFAOYSA-N
XLogP8.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.34
LogP ≤ 58.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2-dihexyl-9H-fluorene
CID 22141601
1-butyl-2-decyl-9H-fluorene
CID 151429799
1,2-dioctyl-9H-fluorene;thiophene
CID 174653713
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
2-methyl-1-[2-(2-methyl-9H-fluoren-1-yl)ethyl]-9H-fluorene
CID 22912619
4-butyl-2-(9H-fluoren-1-yl)-3-octylphenol
CID 150998835
1,2-diethyl-9H-fluorene
CID 23440471
5-(9H-fluoren-1-yl)pentane-1-thiol
CID 141354890
1-tert-butyl-2-decyl-9H-fluorene
CID 160798357
1,2,3-tributyl-9H-fluorene
CID 90984374

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(6-bromohexyl)-9H-fluorene?
The IUPAC name of 1,2-bis(6-bromohexyl)-9H-fluorene (CID 172692386) is 1,2-bis(6-bromohexyl)-9H-fluorene.
What is the SMILES notation for 1,2-bis(6-bromohexyl)-9H-fluorene?
The canonical SMILES for 1,2-bis(6-bromohexyl)-9H-fluorene is BrCCCCCCc1ccc2c(c1CCCCCCBr)Cc1ccccc1-2.
What is the InChIKey of 1,2-bis(6-bromohexyl)-9H-fluorene?
The InChIKey is BVVLNEXYMYCUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32Br2/c26-17-9-3-1-5-11-20-15-16-24-23-14-8-7-12-21(23)19-25(24)22(20)13-6-2-4-10-18-27/h7-8,12,14-16H,1-6,9-11,13,17-19H2.
What are the key properties of 1,2-bis(6-bromohexyl)-9H-fluorene?
1,2-bis(6-bromohexyl)-9H-fluorene has a molecular weight of 492.34 g/mol, XLogP of 8.25, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(6-bromohexyl)-9H-fluorene is sourced from PubChem (CID 172692386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).