2,7-dibromo-9,9-dihexylfluorene

C25H32Br2 — CID 3539647

IUPAC2,7-dibromo-9,9-dihexylfluorene
SMILESCCCCCCC1(CCCCCC)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C25H32Br2/c1-3-5-7-9-15-25(16-10-8-6-4-2)23-17-19(26)11-13-21(23)22-14-12-20(27)18-24(22)25/h11-14,17-18H,3-10,15-16H2,1-2H3
InChIKeyOXFFIMLCSVJMHA-UHFFFAOYSA-N
MW492.34 g/mol
LogP9.42
Rot. Bonds10

About 2,7-dibromo-9,9-dihexylfluorene

2,7-dibromo-9,9-dihexylfluorene (PubChem CID 3539647) has the molecular formula C25H32Br2 and a molecular weight of 492.34 g/mol. Its IUPAC name is 2,7-dibromo-9,9-dihexylfluorene.

Molecular Properties

Compound Name2,7-dibromo-9,9-dihexylfluorene
PubChem CID3539647
Molecular FormulaC25H32Br2
Molecular Weight492.34 g/mol
Exact Mass490.09
IUPAC Name2,7-dibromo-9,9-dihexylfluorene
SMILESCCCCCCC1(CCCCCC)c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C25H32Br2/c1-3-5-7-9-15-25(16-10-8-6-4-2)23-17-19(26)11-13-21(23)22-14-12-20(27)18-24(22)25/h11-14,17-18H,3-10,15-16H2,1-2H3
InChIKeyOXFFIMLCSVJMHA-UHFFFAOYSA-N
XLogP9.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.34
LogP ≤ 59.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,7-dibromo-9,9-dihexylfluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Bromo-9H-fluorene
CID 14336
2,7-Dibromofluorene
CID 140073
2,2',7,7'-Tetrabromo-9,9'-spirobi[9H-fluorene]
CID 371282
2,2'-Dibromo-9,9'-spirobifluorene
CID 11282885
3-bromo-9H-fluorene
CID 11959045
2,7-Dibromo-9,9'-spirobi[9H-fluorene]
CID 15544767
2-Bromo-9,9-dibutylfluorene
CID 22381647
5-bromo-2,3-dihydro-1H-indene
CID 267139
2,7-Dibromo-9,9-didecylfluorene
CID 3661211
2,7-Dibromo-9,9-didodecylfluorene
CID 5140914
2,7-Dibromo-9,9-di-n-octylfluorene
CID 5215321
2-Bromo-9,9-diethylfluorene
CID 12123875

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9,9-dihexylfluorene?
The IUPAC name of 2,7-dibromo-9,9-dihexylfluorene (CID 3539647) is 2,7-dibromo-9,9-dihexylfluorene.
What is the SMILES notation for 2,7-dibromo-9,9-dihexylfluorene?
The canonical SMILES for 2,7-dibromo-9,9-dihexylfluorene is CCCCCCC1(CCCCCC)c2cc(Br)ccc2-c2ccc(Br)cc21.
What is the InChIKey of 2,7-dibromo-9,9-dihexylfluorene?
The InChIKey is OXFFIMLCSVJMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32Br2/c1-3-5-7-9-15-25(16-10-8-6-4-2)23-17-19(26)11-13-21(23)22-14-12-20(27)18-24(22)25/h11-14,17-18H,3-10,15-16H2,1-2H3.
What are the key properties of 2,7-dibromo-9,9-dihexylfluorene?
2,7-dibromo-9,9-dihexylfluorene has a molecular weight of 492.34 g/mol, XLogP of 9.42, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9,9-dihexylfluorene is sourced from PubChem (CID 3539647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).