2-bromo-9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluorene

C33H21BrF2O — CID 169286319

IUPAC2-bromo-9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluorene
SMILESC=Cc1ccc(Oc2ccc(C3(c4c(F)cccc4F)c4ccccc4-c4ccc(Br)cc43)cc2)cc1
InChIInChI=1S/C33H21BrF2O/c1-2-21-10-15-24(16-11-21)37-25-17-12-22(13-18-25)33(32-30(35)8-5-9-31(32)36)28-7-4-3-6-26(28)27-19-14-23(34)20-29(27)33/h2-20H,1H2
InChIKeyFEHVTRSIVTUETG-UHFFFAOYSA-N
MW551.43 g/mol
LogP9.53
Rot. Bonds5

About 2-bromo-9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluorene

2-bromo-9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluorene (PubChem CID 169286319) has the molecular formula C33H21BrF2O and a molecular weight of 551.43 g/mol. Its IUPAC name is 2-bromo-9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluorene.

Molecular Properties

Compound Name2-bromo-9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluorene
PubChem CID169286319
Molecular FormulaC33H21BrF2O
Molecular Weight551.43 g/mol
Exact Mass550.07
IUPAC Name2-bromo-9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluorene
SMILESC=Cc1ccc(Oc2ccc(C3(c4c(F)cccc4F)c4ccccc4-c4ccc(Br)cc43)cc2)cc1
InChIInChI=1S/C33H21BrF2O/c1-2-21-10-15-24(16-11-21)37-25-17-12-22(13-18-25)33(32-30(35)8-5-9-31(32)36)28-7-4-3-6-26(28)27-19-14-23(34)20-29(27)33/h2-20H,1H2
InChIKeyFEHVTRSIVTUETG-UHFFFAOYSA-N
XLogP9.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.43
LogP ≤ 59.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-bromo-9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluorene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluorene?
The IUPAC name of 2-bromo-9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluorene (CID 169286319) is 2-bromo-9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluorene.
What is the SMILES notation for 2-bromo-9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluorene?
The canonical SMILES for 2-bromo-9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluorene is C=Cc1ccc(Oc2ccc(C3(c4c(F)cccc4F)c4ccccc4-c4ccc(Br)cc43)cc2)cc1.
What is the InChIKey of 2-bromo-9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluorene?
The InChIKey is FEHVTRSIVTUETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21BrF2O/c1-2-21-10-15-24(16-11-21)37-25-17-12-22(13-18-25)33(32-30(35)8-5-9-31(32)36)28-7-4-3-6-26(28)27-19-14-23(34)20-29(27)33/h2-20H,1H2.
What are the key properties of 2-bromo-9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluorene?
2-bromo-9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluorene has a molecular weight of 551.43 g/mol, XLogP of 9.53, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9-(2,6-difluorophenyl)-9-[4-(4-ethenylphenoxy)phenyl]fluorene is sourced from PubChem (CID 169286319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).