9-bromo-10-(4-fluorophenyl)anthracene

C20H12BrF — CID 21076367

IUPAC9-bromo-10-(4-fluorophenyl)anthracene
SMILESFc1ccc(-c2c3ccccc3c(Br)c3ccccc23)cc1
InChIInChI=1S/C20H12BrF/c21-20-17-7-3-1-5-15(17)19(13-9-11-14(22)12-10-13)16-6-2-4-8-18(16)20/h1-12H
InChIKeyORIUQSXAGKNUSX-UHFFFAOYSA-N
MW351.22 g/mol
LogP6.56
Rot. Bonds1

About 9-bromo-10-(4-fluorophenyl)anthracene

9-bromo-10-(4-fluorophenyl)anthracene (PubChem CID 21076367) has the molecular formula C20H12BrF and a molecular weight of 351.22 g/mol. Its IUPAC name is 9-bromo-10-(4-fluorophenyl)anthracene.

Molecular Properties

Compound Name9-bromo-10-(4-fluorophenyl)anthracene
PubChem CID21076367
Molecular FormulaC20H12BrF
Molecular Weight351.22 g/mol
Exact Mass350.01
IUPAC Name9-bromo-10-(4-fluorophenyl)anthracene
SMILESFc1ccc(-c2c3ccccc3c(Br)c3ccccc23)cc1
InChIInChI=1S/C20H12BrF/c21-20-17-7-3-1-5-15(17)19(13-9-11-14(22)12-10-13)16-6-2-4-8-18(16)20/h1-12H
InChIKeyORIUQSXAGKNUSX-UHFFFAOYSA-N
XLogP6.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.22
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-Bromophenanthrene
CID 11309
9,10-Dibromoanthracene
CID 68226
9-Bromoanthracene
CID 74062
6-Bromobenzo(a)pyrene
CID 30545
1-Bromo-2-(bromomethyl)naphthalene
CID 37828
1-Bromopyrene
CID 159627
7-Bromobenz(a)anthracene
CID 72849
1-Bromo-2-methylnaphthalene
CID 75754
1-Bromo-4-methylnaphthalene
CID 81112
9-Bromo-10-phenyl-anthracene
CID 4155836
9-Bromo-10-methylanthracene
CID 5077898
1,3,6,8-Tetrabromopyrene
CID 67188

Frequently Asked Questions

What is the IUPAC name of 9-bromo-10-(4-fluorophenyl)anthracene?
The IUPAC name of 9-bromo-10-(4-fluorophenyl)anthracene (CID 21076367) is 9-bromo-10-(4-fluorophenyl)anthracene.
What is the SMILES notation for 9-bromo-10-(4-fluorophenyl)anthracene?
The canonical SMILES for 9-bromo-10-(4-fluorophenyl)anthracene is Fc1ccc(-c2c3ccccc3c(Br)c3ccccc23)cc1.
What is the InChIKey of 9-bromo-10-(4-fluorophenyl)anthracene?
The InChIKey is ORIUQSXAGKNUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12BrF/c21-20-17-7-3-1-5-15(17)19(13-9-11-14(22)12-10-13)16-6-2-4-8-18(16)20/h1-12H.
What are the key properties of 9-bromo-10-(4-fluorophenyl)anthracene?
9-bromo-10-(4-fluorophenyl)anthracene has a molecular weight of 351.22 g/mol, XLogP of 6.56, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-10-(4-fluorophenyl)anthracene is sourced from PubChem (CID 21076367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).