2,6-dithiophen-2-ylanthracene-9,10-dione

C22H12O2S2 — CID 11079243

IUPAC2,6-dithiophen-2-ylanthracene-9,10-dione
SMILESO=C1c2ccc(-c3cccs3)cc2C(=O)c2ccc(-c3cccs3)cc21
InChIInChI=1S/C22H12O2S2/c23-21-16-8-6-14(20-4-2-10-26-20)12-18(16)22(24)15-7-5-13(11-17(15)21)19-3-1-9-25-19/h1-12H
InChIKeyLSRBPUYOBJYXTD-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.92
Rot. Bonds2

About 2,6-dithiophen-2-ylanthracene-9,10-dione

2,6-dithiophen-2-ylanthracene-9,10-dione (PubChem CID 11079243) has the molecular formula C22H12O2S2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2,6-dithiophen-2-ylanthracene-9,10-dione.

Molecular Properties

Compound Name2,6-dithiophen-2-ylanthracene-9,10-dione
PubChem CID11079243
Molecular FormulaC22H12O2S2
Molecular Weight372.47 g/mol
Exact Mass372.03
IUPAC Name2,6-dithiophen-2-ylanthracene-9,10-dione
SMILESO=C1c2ccc(-c3cccs3)cc2C(=O)c2ccc(-c3cccs3)cc21
InChIInChI=1S/C22H12O2S2/c23-21-16-8-6-14(20-4-2-10-26-20)12-18(16)22(24)15-7-5-13(11-17(15)21)19-3-1-9-25-19/h1-12H
InChIKeyLSRBPUYOBJYXTD-UHFFFAOYSA-N
XLogP5.92
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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2-[5-[5-(9-oxofluoren-2-yl)thiophen-2-yl]thiophen-2-yl]fluoren-9-one
CID 86020622
2-(7-thiophen-2-ylnaphthalen-2-yl)thiophene
CID 824515
2-(3-nitro-4-thiophen-2-ylphenyl)thiophene
CID 22765600
2-[3-(3,5-dithiophen-2-ylphenyl)-5-thiophen-2-ylphenyl]thiophene
CID 25194793
2,3-dimethyl-5-thiophen-2-yl-3H-isoindol-1-one
CID 90042577
2-(2'-thiophen-2-yl-9,9'-spirobi[fluorene]-2-yl)thiophene
CID 10885315
2-thiophen-3-ylanthracene-9,10-dione
CID 170898858
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CID 165354572
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CID 82307876

Frequently Asked Questions

What is the IUPAC name of 2,6-dithiophen-2-ylanthracene-9,10-dione?
The IUPAC name of 2,6-dithiophen-2-ylanthracene-9,10-dione (CID 11079243) is 2,6-dithiophen-2-ylanthracene-9,10-dione.
What is the SMILES notation for 2,6-dithiophen-2-ylanthracene-9,10-dione?
The canonical SMILES for 2,6-dithiophen-2-ylanthracene-9,10-dione is O=C1c2ccc(-c3cccs3)cc2C(=O)c2ccc(-c3cccs3)cc21.
What is the InChIKey of 2,6-dithiophen-2-ylanthracene-9,10-dione?
The InChIKey is LSRBPUYOBJYXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12O2S2/c23-21-16-8-6-14(20-4-2-10-26-20)12-18(16)22(24)15-7-5-13(11-17(15)21)19-3-1-9-25-19/h1-12H.
What are the key properties of 2,6-dithiophen-2-ylanthracene-9,10-dione?
2,6-dithiophen-2-ylanthracene-9,10-dione has a molecular weight of 372.47 g/mol, XLogP of 5.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dithiophen-2-ylanthracene-9,10-dione is sourced from PubChem (CID 11079243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).