2-bromo-9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluorene

C33H22BrFO — CID 169286376

IUPAC2-bromo-9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluorene
SMILESC=Cc1ccc(Oc2ccc(C3(c4ccc(F)cc4)c4ccccc4-c4ccc(Br)cc43)cc2)cc1
InChIInChI=1S/C33H22BrFO/c1-2-22-7-16-27(17-8-22)36-28-18-11-24(12-19-28)33(23-9-14-26(35)15-10-23)31-6-4-3-5-29(31)30-20-13-25(34)21-32(30)33/h2-21H,1H2
InChIKeyPDKJAZISWZQKTG-UHFFFAOYSA-N
MW533.44 g/mol
LogP9.39
Rot. Bonds5

About 2-bromo-9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluorene

2-bromo-9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluorene (PubChem CID 169286376) has the molecular formula C33H22BrFO and a molecular weight of 533.44 g/mol. Its IUPAC name is 2-bromo-9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluorene.

Molecular Properties

Compound Name2-bromo-9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluorene
PubChem CID169286376
Molecular FormulaC33H22BrFO
Molecular Weight533.44 g/mol
Exact Mass532.08
IUPAC Name2-bromo-9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluorene
SMILESC=Cc1ccc(Oc2ccc(C3(c4ccc(F)cc4)c4ccccc4-c4ccc(Br)cc43)cc2)cc1
InChIInChI=1S/C33H22BrFO/c1-2-22-7-16-27(17-8-22)36-28-18-11-24(12-19-28)33(23-9-14-26(35)15-10-23)31-6-4-3-5-29(31)30-20-13-25(34)21-32(30)33/h2-21H,1H2
InChIKeyPDKJAZISWZQKTG-UHFFFAOYSA-N
XLogP9.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.44
LogP ≤ 59.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluorene?
The IUPAC name of 2-bromo-9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluorene (CID 169286376) is 2-bromo-9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluorene.
What is the SMILES notation for 2-bromo-9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluorene?
The canonical SMILES for 2-bromo-9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluorene is C=Cc1ccc(Oc2ccc(C3(c4ccc(F)cc4)c4ccccc4-c4ccc(Br)cc43)cc2)cc1.
What is the InChIKey of 2-bromo-9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluorene?
The InChIKey is PDKJAZISWZQKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H22BrFO/c1-2-22-7-16-27(17-8-22)36-28-18-11-24(12-19-28)33(23-9-14-26(35)15-10-23)31-6-4-3-5-29(31)30-20-13-25(34)21-32(30)33/h2-21H,1H2.
What are the key properties of 2-bromo-9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluorene?
2-bromo-9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluorene has a molecular weight of 533.44 g/mol, XLogP of 9.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9-[4-(4-ethenylphenoxy)phenyl]-9-(4-fluorophenyl)fluorene is sourced from PubChem (CID 169286376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).