cyclopenta[a]naphthalene-1,3-dione;cyclopenta[b][1]benzothiole-1,3-dione;cyclopenta[b]pyrazine-5,7-dione;cyclopenta[b]quinoline-1,3-dione;cyclopenta[b]thiophene-4,6-dione;cyclopenta[d][1,3]thiazole-4,6-dione;3,7-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4-triene-9,11-dione;7-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene-3,5-dione

C75H41N5O16S6 — CID 157086671

IUPACcyclopenta[a]naphthalene-1,3-dione;cyclopenta[b][1]benzothiole-1,3-dione;cyclopenta[b]pyrazine-5,7-dione;cyclopenta[b]quinoline-1,3-dione;cyclopenta[b]thiophene-4,6-dione;cyclopenta[d][1,3]thiazole-4,6-dione;3,7-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4-triene-9,11-dione;7-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene-3,5-dione
SMILESO=C1CC(=O)c2c1ccc1ccccc21.O=C1CC(=O)c2c1sc1ccccc21.O=C1CC(=O)c2c1sc1cccnc21.O=C1CC(=O)c2c1sc1ccsc21.O=C1CC(=O)c2nc3ccccc3cc21.O=C1CC(=O)c2nccnc21.O=C1CC(=O)c2sccc21.O=C1CC(=O)c2scnc21
InChIInChI=1S/C13H8O2.C12H7NO2.C11H6O2S.C10H5NO2S.C9H4O2S2.C7H4N2O2.C7H4O2S.C6H3NO2S/c14-11-7-12(15)13-9-4-2-1-3-8(9)5-6-10(11)13;14-10-6-11(15)12-8(10)5-7-3-1-2-4-9(7)13-12;12-7-5-8(13)11-10(7)6-3-1-2-4-9(6)14-11;12-5-4-6(13)10-8(5)9-7(14-10)2-1-3-11-9;10-4-3-5(11)8-7(4)9-6(13-8)1-2-12-9;10-4-3-5(11)7-6(4)8-1-2-9-7;8-5-3-6(9)7-4(5)1-2-10-7;8-3-1-4(9)6-5(3)7-2-10-6/h1-6H,7H2;1-5H,6H2;1-4H,5H2;1-3H,4H2;1-2H,3H2;1-2H,3H2;1-2H,3H2;2H,1H2
InChIKeyAEDZUIHIONHYJO-UHFFFAOYSA-N
MW1460.57 g/mol
LogP14.76
Rot. Bonds

About cyclopenta[a]naphthalene-1,3-dione;cyclopenta[b][1]benzothiole-1,3-dione;cyclopenta[b]pyrazine-5,7-dione;cyclopenta[b]quinoline-1,3-dione;cyclopenta[b]thiophene-4,6-dione;cyclopenta[d][1,3]thiazole-4,6-dione;3,7-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4-triene-9,11-dione;7-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene-3,5-dione

cyclopenta[a]naphthalene-1,3-dione;cyclopenta[b][1]benzothiole-1,3-dione;cyclopenta[b]pyrazine-5,7-dione;cyclopenta[b]quinoline-1,3-dione;cyclopenta[b]thiophene-4,6-dione;cyclopenta[d][1,3]thiazole-4,6-dione;3,7-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4-triene-9,11-dione;7-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene-3,5-dione (PubChem CID 157086671) has the molecular formula C75H41N5O16S6 and a molecular weight of 1460.57 g/mol. Its IUPAC name is cyclopenta[a]naphthalene-1,3-dione;cyclopenta[b][1]benzothiole-1,3-dione;cyclopenta[b]pyrazine-5,7-dione;cyclopenta[b]quinoline-1,3-dione;cyclopenta[b]thiophene-4,6-dione;cyclopenta[d][1,3]thiazole-4,6-dione;3,7-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4-triene-9,11-dione;7-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene-3,5-dione.

Molecular Properties

Compound Namecyclopenta[a]naphthalene-1,3-dione;cyclopenta[b][1]benzothiole-1,3-dione;cyclopenta[b]pyrazine-5,7-dione;cyclopenta[b]quinoline-1,3-dione;cyclopenta[b]thiophene-4,6-dione;cyclopenta[d][1,3]thiazole-4,6-dione;3,7-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4-triene-9,11-dione;7-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene-3,5-dione
PubChem CID157086671
Molecular FormulaC75H41N5O16S6
Molecular Weight1460.57 g/mol
Exact Mass1459.09
IUPAC Namecyclopenta[a]naphthalene-1,3-dione;cyclopenta[b][1]benzothiole-1,3-dione;cyclopenta[b]pyrazine-5,7-dione;cyclopenta[b]quinoline-1,3-dione;cyclopenta[b]thiophene-4,6-dione;cyclopenta[d][1,3]thiazole-4,6-dione;3,7-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4-triene-9,11-dione;7-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene-3,5-dione
SMILESO=C1CC(=O)c2c1ccc1ccccc21.O=C1CC(=O)c2c1sc1ccccc21.O=C1CC(=O)c2c1sc1cccnc21.O=C1CC(=O)c2c1sc1ccsc21.O=C1CC(=O)c2nc3ccccc3cc21.O=C1CC(=O)c2nccnc21.O=C1CC(=O)c2sccc21.O=C1CC(=O)c2scnc21
InChIInChI=1S/C13H8O2.C12H7NO2.C11H6O2S.C10H5NO2S.C9H4O2S2.C7H4N2O2.C7H4O2S.C6H3NO2S/c14-11-7-12(15)13-9-4-2-1-3-8(9)5-6-10(11)13;14-10-6-11(15)12-8(10)5-7-3-1-2-4-9(7)13-12;12-7-5-8(13)11-10(7)6-3-1-2-4-9(6)14-11;12-5-4-6(13)10-8(5)9-7(14-10)2-1-3-11-9;10-4-3-5(11)8-7(4)9-6(13-8)1-2-12-9;10-4-3-5(11)7-6(4)8-1-2-9-7;8-5-3-6(9)7-4(5)1-2-10-7;8-3-1-4(9)6-5(3)7-2-10-6/h1-6H,7H2;1-5H,6H2;1-4H,5H2;1-3H,4H2;1-2H,3H2;1-2H,3H2;1-2H,3H2;2H,1H2
InChIKeyAEDZUIHIONHYJO-UHFFFAOYSA-N
XLogP14.76
TPSA337.57 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001460.57
LogP ≤ 514.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze cyclopenta[a]naphthalene-1,3-dione;cyclopenta[b][1]benzothiole-1,3-dione;cyclopenta[b]pyrazine-5,7-dione;cyclopenta[b]quinoline-1,3-dione;cyclopenta[b]thiophene-4,6-dione;cyclopenta[d][1,3]thiazole-4,6-dione;3,7-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4-triene-9,11-dione;7-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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Related Compounds

(6E)-6-[[6-[N-(1-benzothiophen-2-yl)anilino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;6-[[6-[bis(2,6-dimethyl-4-pyridinyl)amino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[[6-(N-(3,5-ditert-butylphenyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]indene-1,3-dione;(6E)-6-[[4,4-dimethyl-6-(N-naphthalen-2-ylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[4,4-dimethyl-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione
CID 159817791
CID 160268335
CID 160268335

Frequently Asked Questions

What is the IUPAC name of cyclopenta[a]naphthalene-1,3-dione;cyclopenta[b][1]benzothiole-1,3-dione;cyclopenta[b]pyrazine-5,7-dione;cyclopenta[b]quinoline-1,3-dione;cyclopenta[b]thiophene-4,6-dione;cyclopenta[d][1,3]thiazole-4,6-dione;3,7-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4-triene-9,11-dione;7-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene-3,5-dione?
The IUPAC name of cyclopenta[a]naphthalene-1,3-dione;cyclopenta[b][1]benzothiole-1,3-dione;cyclopenta[b]pyrazine-5,7-dione;cyclopenta[b]quinoline-1,3-dione;cyclopenta[b]thiophene-4,6-dione;cyclopenta[d][1,3]thiazole-4,6-dione;3,7-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4-triene-9,11-dione;7-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene-3,5-dione (CID 157086671) is cyclopenta[a]naphthalene-1,3-dione;cyclopenta[b][1]benzothiole-1,3-dione;cyclopenta[b]pyrazine-5,7-dione;cyclopenta[b]quinoline-1,3-dione;cyclopenta[b]thiophene-4,6-dione;cyclopenta[d][1,3]thiazole-4,6-dione;3,7-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4-triene-9,11-dione;7-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene-3,5-dione.
What is the SMILES notation for cyclopenta[a]naphthalene-1,3-dione;cyclopenta[b][1]benzothiole-1,3-dione;cyclopenta[b]pyrazine-5,7-dione;cyclopenta[b]quinoline-1,3-dione;cyclopenta[b]thiophene-4,6-dione;cyclopenta[d][1,3]thiazole-4,6-dione;3,7-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4-triene-9,11-dione;7-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene-3,5-dione?
The canonical SMILES for cyclopenta[a]naphthalene-1,3-dione;cyclopenta[b][1]benzothiole-1,3-dione;cyclopenta[b]pyrazine-5,7-dione;cyclopenta[b]quinoline-1,3-dione;cyclopenta[b]thiophene-4,6-dione;cyclopenta[d][1,3]thiazole-4,6-dione;3,7-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4-triene-9,11-dione;7-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene-3,5-dione is O=C1CC(=O)c2c1ccc1ccccc21.O=C1CC(=O)c2c1sc1ccccc21.O=C1CC(=O)c2c1sc1cccnc21.O=C1CC(=O)c2c1sc1ccsc21.O=C1CC(=O)c2nc3ccccc3cc21.O=C1CC(=O)c2nccnc21.O=C1CC(=O)c2sccc21.O=C1CC(=O)c2scnc21.
What is the InChIKey of cyclopenta[a]naphthalene-1,3-dione;cyclopenta[b][1]benzothiole-1,3-dione;cyclopenta[b]pyrazine-5,7-dione;cyclopenta[b]quinoline-1,3-dione;cyclopenta[b]thiophene-4,6-dione;cyclopenta[d][1,3]thiazole-4,6-dione;3,7-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4-triene-9,11-dione;7-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene-3,5-dione?
The InChIKey is AEDZUIHIONHYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O2.C12H7NO2.C11H6O2S.C10H5NO2S.C9H4O2S2.C7H4N2O2.C7H4O2S.C6H3NO2S/c14-11-7-12(15)13-9-4-2-1-3-8(9)5-6-10(11)13;14-10-6-11(15)12-8(10)5-7-3-1-2-4-9(7)13-12;12-7-5-8(13)11-10(7)6-3-1-2-4-9(6)14-11;12-5-4-6(13)10-8(5)9-7(14-10)2-1-3-11-9;10-4-3-5(11)8-7(4)9-6(13-8)1-2-12-9;10-4-3-5(11)7-6(4)8-1-2-9-7;8-5-3-6(9)7-4(5)1-2-10-7;8-3-1-4(9)6-5(3)7-2-10-6/h1-6H,7H2;1-5H,6H2;1-4H,5H2;1-3H,4H2;1-2H,3H2;1-2H,3H2;1-2H,3H2;2H,1H2.
What are the key properties of cyclopenta[a]naphthalene-1,3-dione;cyclopenta[b][1]benzothiole-1,3-dione;cyclopenta[b]pyrazine-5,7-dione;cyclopenta[b]quinoline-1,3-dione;cyclopenta[b]thiophene-4,6-dione;cyclopenta[d][1,3]thiazole-4,6-dione;3,7-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4-triene-9,11-dione;7-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene-3,5-dione?
cyclopenta[a]naphthalene-1,3-dione;cyclopenta[b][1]benzothiole-1,3-dione;cyclopenta[b]pyrazine-5,7-dione;cyclopenta[b]quinoline-1,3-dione;cyclopenta[b]thiophene-4,6-dione;cyclopenta[d][1,3]thiazole-4,6-dione;3,7-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4-triene-9,11-dione;7-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene-3,5-dione has a molecular weight of 1460.57 g/mol, XLogP of 14.76, 0 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta[a]naphthalene-1,3-dione;cyclopenta[b][1]benzothiole-1,3-dione;cyclopenta[b]pyrazine-5,7-dione;cyclopenta[b]quinoline-1,3-dione;cyclopenta[b]thiophene-4,6-dione;cyclopenta[d][1,3]thiazole-4,6-dione;3,7-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4-triene-9,11-dione;7-thia-12-azatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraene-3,5-dione is sourced from PubChem (CID 157086671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).