1,2,4-tris(4-fluorophenyl)anthracene-9,10-dione

C32H17F3O2 — CID 53392838

IUPAC1,2,4-tris(4-fluorophenyl)anthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2c1c(-c1ccc(F)cc1)cc(-c1ccc(F)cc1)c2-c1ccc(F)cc1
InChIInChI=1S/C32H17F3O2/c33-21-11-5-18(6-12-21)26-17-27(19-7-13-22(34)14-8-19)29-30(28(26)20-9-15-23(35)16-10-20)32(37)25-4-2-1-3-24(25)31(29)36/h1-17H
InChIKeyGYFUUVNJANCMEM-UHFFFAOYSA-N
MW490.48 g/mol
LogP7.88
Rot. Bonds3

About 1,2,4-tris(4-fluorophenyl)anthracene-9,10-dione

1,2,4-tris(4-fluorophenyl)anthracene-9,10-dione (PubChem CID 53392838) has the molecular formula C32H17F3O2 and a molecular weight of 490.48 g/mol. Its IUPAC name is 1,2,4-tris(4-fluorophenyl)anthracene-9,10-dione.

Molecular Properties

Compound Name1,2,4-tris(4-fluorophenyl)anthracene-9,10-dione
PubChem CID53392838
Molecular FormulaC32H17F3O2
Molecular Weight490.48 g/mol
Exact Mass490.12
IUPAC Name1,2,4-tris(4-fluorophenyl)anthracene-9,10-dione
SMILESO=C1c2ccccc2C(=O)c2c1c(-c1ccc(F)cc1)cc(-c1ccc(F)cc1)c2-c1ccc(F)cc1
InChIInChI=1S/C32H17F3O2/c33-21-11-5-18(6-12-21)26-17-27(19-7-13-22(34)14-8-19)29-30(28(26)20-9-15-23(35)16-10-20)32(37)25-4-2-1-3-24(25)31(29)36/h1-17H
InChIKeyGYFUUVNJANCMEM-UHFFFAOYSA-N
XLogP7.88
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.48
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

9-oxo-1,4-diphenylfluorene-3-carboxylic acid
CID 141295557
1,5-bis(4-fluorophenyl)-10-sulfanylideneanthracen-9-one
CID 154306004
2-amino-3-(4-fluorophenyl)naphthalene-1,4-dione
CID 950095
1-fluoro-2-(4-fluorophenyl)-3-phenylbenzene
CID 57054132
12-(4-fluorophenyl)-2-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-10-one
CID 102049313
1-chloro-4-phenyl-2-sulfanylanthracene-9,10-dione
CID 22759190
bis[2-(4-fluorophenyl)phenyl]methanone
CID 141033453
4-(4-phenylphenyl)fluoren-9-one
CID 129258983
1-(4-fluorophenyl)-3,6,8-triphenylpyrene
CID 59391144
2,3-bis(3,5-dimethylphenyl)-1-(4-fluorophenyl)-9H-fluorene
CID 151991768
2-[2-(4-fluorophenyl)phenyl]benzenesulfonamide
CID 23217342
methane;1,2,3,4,5-pentakis-phenylbenzene;1,2,4,5-tetraphenylbenzene
CID 161142859

Frequently Asked Questions

What is the IUPAC name of 1,2,4-tris(4-fluorophenyl)anthracene-9,10-dione?
The IUPAC name of 1,2,4-tris(4-fluorophenyl)anthracene-9,10-dione (CID 53392838) is 1,2,4-tris(4-fluorophenyl)anthracene-9,10-dione.
What is the SMILES notation for 1,2,4-tris(4-fluorophenyl)anthracene-9,10-dione?
The canonical SMILES for 1,2,4-tris(4-fluorophenyl)anthracene-9,10-dione is O=C1c2ccccc2C(=O)c2c1c(-c1ccc(F)cc1)cc(-c1ccc(F)cc1)c2-c1ccc(F)cc1.
What is the InChIKey of 1,2,4-tris(4-fluorophenyl)anthracene-9,10-dione?
The InChIKey is GYFUUVNJANCMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H17F3O2/c33-21-11-5-18(6-12-21)26-17-27(19-7-13-22(34)14-8-19)29-30(28(26)20-9-15-23(35)16-10-20)32(37)25-4-2-1-3-24(25)31(29)36/h1-17H.
What are the key properties of 1,2,4-tris(4-fluorophenyl)anthracene-9,10-dione?
1,2,4-tris(4-fluorophenyl)anthracene-9,10-dione has a molecular weight of 490.48 g/mol, XLogP of 7.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-tris(4-fluorophenyl)anthracene-9,10-dione is sourced from PubChem (CID 53392838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).