2-bromo-9,10-bis(4-fluorophenyl)anthracene-9,10-diol

C26H17BrF2O2 — CID 59211150

IUPAC2-bromo-9,10-bis(4-fluorophenyl)anthracene-9,10-diol
SMILESOC1(c2ccc(F)cc2)c2ccccc2C(O)(c2ccc(F)cc2)c2cc(Br)ccc21
InChIInChI=1S/C26H17BrF2O2/c27-18-9-14-23-24(15-18)26(31,17-7-12-20(29)13-8-17)22-4-2-1-3-21(22)25(23,30)16-5-10-19(28)11-6-16/h1-15,30-31H
InChIKeySAQFAGOJTSXLGF-UHFFFAOYSA-N
MW479.32 g/mol
LogP5.61
Rot. Bonds2

About 2-bromo-9,10-bis(4-fluorophenyl)anthracene-9,10-diol

2-bromo-9,10-bis(4-fluorophenyl)anthracene-9,10-diol (PubChem CID 59211150) has the molecular formula C26H17BrF2O2 and a molecular weight of 479.32 g/mol. Its IUPAC name is 2-bromo-9,10-bis(4-fluorophenyl)anthracene-9,10-diol.

Molecular Properties

Compound Name2-bromo-9,10-bis(4-fluorophenyl)anthracene-9,10-diol
PubChem CID59211150
Molecular FormulaC26H17BrF2O2
Molecular Weight479.32 g/mol
Exact Mass478.04
IUPAC Name2-bromo-9,10-bis(4-fluorophenyl)anthracene-9,10-diol
SMILESOC1(c2ccc(F)cc2)c2ccccc2C(O)(c2ccc(F)cc2)c2cc(Br)ccc21
InChIInChI=1S/C26H17BrF2O2/c27-18-9-14-23-24(15-18)26(31,17-7-12-20(29)13-8-17)22-4-2-1-3-21(22)25(23,30)16-5-10-19(28)11-6-16/h1-15,30-31H
InChIKeySAQFAGOJTSXLGF-UHFFFAOYSA-N
XLogP5.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.32
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-9,10-bis(4-fluorophenyl)anthracene-9,10-diol?
The IUPAC name of 2-bromo-9,10-bis(4-fluorophenyl)anthracene-9,10-diol (CID 59211150) is 2-bromo-9,10-bis(4-fluorophenyl)anthracene-9,10-diol.
What is the SMILES notation for 2-bromo-9,10-bis(4-fluorophenyl)anthracene-9,10-diol?
The canonical SMILES for 2-bromo-9,10-bis(4-fluorophenyl)anthracene-9,10-diol is OC1(c2ccc(F)cc2)c2ccccc2C(O)(c2ccc(F)cc2)c2cc(Br)ccc21.
What is the InChIKey of 2-bromo-9,10-bis(4-fluorophenyl)anthracene-9,10-diol?
The InChIKey is SAQFAGOJTSXLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17BrF2O2/c27-18-9-14-23-24(15-18)26(31,17-7-12-20(29)13-8-17)22-4-2-1-3-21(22)25(23,30)16-5-10-19(28)11-6-16/h1-15,30-31H.
What are the key properties of 2-bromo-9,10-bis(4-fluorophenyl)anthracene-9,10-diol?
2-bromo-9,10-bis(4-fluorophenyl)anthracene-9,10-diol has a molecular weight of 479.32 g/mol, XLogP of 5.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-9,10-bis(4-fluorophenyl)anthracene-9,10-diol is sourced from PubChem (CID 59211150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).