2-[[2-(4-tert-butylphenyl)-4-methylthieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2,4-dimethylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2,4-dimethylthieno[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2,4-diphenylthieno[3,2-b]pyrrol-5-yl)methylidene]-4,5,6,7-tetrafluoroindene-1,3-dione;2-[[4-ethyl-2-(2,4,6-trimethylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione

C134H93F4N5O11S4 — CID 159080733

About 2-[[2-(4-tert-butylphenyl)-4-methylthieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2,4-dimethylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2,4-dimethylthieno[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2,4-diphenylthieno[3,2-b]pyrrol-5-yl)methylidene]-4,5,6,7-tetrafluoroindene-1,3-dione;2-[[4-ethyl-2-(2,4,6-trimethylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione

2-[[2-(4-tert-butylphenyl)-4-methylthieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2,4-dimethylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2,4-dimethylthieno[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2,4-diphenylthieno[3,2-b]pyrrol-5-yl)methylidene]-4,5,6,7-tetrafluoroindene-1,3-dione;2-[[4-ethyl-2-(2,4,6-trimethylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione (PubChem CID 159080733) has the molecular formula C134H93F4N5O11S4 and a molecular weight of 2153.50 g/mol. Its IUPAC name is 2-[[2-(4-tert-butylphenyl)-4-methylthieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2,4-dimethylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2,4-dimethylthieno[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2,4-diphenylthieno[3,2-b]pyrrol-5-yl)methylidene]-4,5,6,7-tetrafluoroindene-1,3-dione;2-[[4-ethyl-2-(2,4,6-trimethylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione.

Molecular Properties

• Compound Name: 2-[[2-(4-tert-butylphenyl)-4-methylthieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2,4-dimethylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2,4-dimethylthieno[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2,4-diphenylthieno[3,2-b]pyrrol-5-yl)methylidene]-4,5,6,7-tetrafluoroindene-1,3-dione;2-[[4-ethyl-2-(2,4,6-trimethylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
• PubChem CID: 159080733
• Molecular Formula: C134H93F4N5O11S4
• Molecular Weight: 2153.50 g/mol
• Exact Mass: 2151.57
• IUPAC Name: 2-[[2-(4-tert-butylphenyl)-4-methylthieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2,4-dimethylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2,4-dimethylthieno[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2,4-diphenylthieno[3,2-b]pyrrol-5-yl)methylidene]-4,5,6,7-tetrafluoroindene-1,3-dione;2-[[4-ethyl-2-(2,4,6-trimethylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
• SMILES: CCn1c(C=C2C(=O)c3cc4ccccc4cc3C2=O)cc2sc(-c3c(C)cc(C)cc3C)cc21.Cc1cc2c(cc(C=C3C(=O)c4cc5ccccc5cc4C3=O)n2C)o1.Cc1cc2c(cc(C=C3C(=O)c4cc5ccccc5cc4C3=O)n2C)s1.Cn1c(C=C2C(=O)c3cc4ccccc4cc3C2=O)cc2sc(-c3ccc(C(C)(C)C)cc3)cc21.O=C1C(=Cc2cc3sc(-c4ccccc4)cc3n2-c2ccccc2)C(=O)c2c(F)c(F)c(F)c(F)c21
• InChI: InChI=1S/2C31H25NO2S.C28H13F4NO2S.C22H15NO3.C22H15NO2S/c1-31(2,3)21-11-9-18(10-12-21)27-17-26-28(35-27)16-22(32(26)4)15-25-29(33)23-13-19-7-5-6-8-20(19)14-24(23)30(25)34;1-5-32-22(15-27-26(32)16-28(35-27)29-18(3)10-17(2)11-19(29)4)14-25-30(33)23-12-20-8-6-7-9-21(20)13-24(23)31(25)34;29-23-21-22(24(30)26(32)25(23)31)28(35)17(27(21)34)11-16-12-20-18(33(16)15-9-5-2-6-10-15)13-19(36-20)14-7-3-1-4-8-14;2*1-12-7-19-20(26-12)11-15(23(19)2)10-18-21(24)16-8-13-5-3-4-6-14(13)9-17(16)22(18)25/h5-17H,1-4H3;6-16H,5H2,1-4H3;1-13H;2*3-11H,1-2H3
• InChIKey: KAUYLHJJYGHZEJ-UHFFFAOYSA-N
• XLogP: 32.99
• TPSA: 208.49 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 10
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2153.50
LogP ≤ 5	32.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-tert-butylphenyl)-4-methylthieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2,4-dimethylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2,4-dimethylthieno[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2,4-diphenylthieno[3,2-b]pyrrol-5-yl)methylidene]-4,5,6,7-tetrafluoroindene-1,3-dione;2-[[4-ethyl-2-(2,4,6-trimethylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?

The IUPAC name of 2-[[2-(4-tert-butylphenyl)-4-methylthieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2,4-dimethylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2,4-dimethylthieno[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2,4-diphenylthieno[3,2-b]pyrrol-5-yl)methylidene]-4,5,6,7-tetrafluoroindene-1,3-dione;2-[[4-ethyl-2-(2,4,6-trimethylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione (CID 159080733) is 2-[[2-(4-tert-butylphenyl)-4-methylthieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2,4-dimethylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2,4-dimethylthieno[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2,4-diphenylthieno[3,2-b]pyrrol-5-yl)methylidene]-4,5,6,7-tetrafluoroindene-1,3-dione;2-[[4-ethyl-2-(2,4,6-trimethylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione.

What is the SMILES notation for 2-[[2-(4-tert-butylphenyl)-4-methylthieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2,4-dimethylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2,4-dimethylthieno[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2,4-diphenylthieno[3,2-b]pyrrol-5-yl)methylidene]-4,5,6,7-tetrafluoroindene-1,3-dione;2-[[4-ethyl-2-(2,4,6-trimethylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?

The canonical SMILES for 2-[[2-(4-tert-butylphenyl)-4-methylthieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2,4-dimethylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2,4-dimethylthieno[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2,4-diphenylthieno[3,2-b]pyrrol-5-yl)methylidene]-4,5,6,7-tetrafluoroindene-1,3-dione;2-[[4-ethyl-2-(2,4,6-trimethylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione is CCn1c(C=C2C(=O)c3cc4ccccc4cc3C2=O)cc2sc(-c3c(C)cc(C)cc3C)cc21.Cc1cc2c(cc(C=C3C(=O)c4cc5ccccc5cc4C3=O)n2C)o1.Cc1cc2c(cc(C=C3C(=O)c4cc5ccccc5cc4C3=O)n2C)s1.Cn1c(C=C2C(=O)c3cc4ccccc4cc3C2=O)cc2sc(-c3ccc(C(C)(C)C)cc3)cc21.O=C1C(=Cc2cc3sc(-c4ccccc4)cc3n2-c2ccccc2)C(=O)c2c(F)c(F)c(F)c(F)c21.

What is the InChIKey of 2-[[2-(4-tert-butylphenyl)-4-methylthieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2,4-dimethylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2,4-dimethylthieno[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2,4-diphenylthieno[3,2-b]pyrrol-5-yl)methylidene]-4,5,6,7-tetrafluoroindene-1,3-dione;2-[[4-ethyl-2-(2,4,6-trimethylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?

The InChIKey is KAUYLHJJYGHZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H25NO2S.C28H13F4NO2S.C22H15NO3.C22H15NO2S/c1-31(2,3)21-11-9-18(10-12-21)27-17-26-28(35-27)16-22(32(26)4)15-25-29(33)23-13-19-7-5-6-8-20(19)14-24(23)30(25)34;1-5-32-22(15-27-26(32)16-28(35-27)29-18(3)10-17(2)11-19(29)4)14-25-30(33)23-12-20-8-6-7-9-21(20)13-24(23)31(25)34;29-23-21-22(24(30)26(32)25(23)31)28(35)17(27(21)34)11-16-12-20-18(33(16)15-9-5-2-6-10-15)13-19(36-20)14-7-3-1-4-8-14;2*1-12-7-19-20(26-12)11-15(23(19)2)10-18-21(24)16-8-13-5-3-4-6-14(13)9-17(16)22(18)25/h5-17H,1-4H3;6-16H,5H2,1-4H3;1-13H;2*3-11H,1-2H3.

What are the key properties of 2-[[2-(4-tert-butylphenyl)-4-methylthieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2,4-dimethylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2,4-dimethylthieno[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2,4-diphenylthieno[3,2-b]pyrrol-5-yl)methylidene]-4,5,6,7-tetrafluoroindene-1,3-dione;2-[[4-ethyl-2-(2,4,6-trimethylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?

2-[[2-(4-tert-butylphenyl)-4-methylthieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2,4-dimethylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2,4-dimethylthieno[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2,4-diphenylthieno[3,2-b]pyrrol-5-yl)methylidene]-4,5,6,7-tetrafluoroindene-1,3-dione;2-[[4-ethyl-2-(2,4,6-trimethylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione has a molecular weight of 2153.50 g/mol, XLogP of 32.99, 10 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-(4-tert-butylphenyl)-4-methylthieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2,4-dimethylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2,4-dimethylthieno[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2,4-diphenylthieno[3,2-b]pyrrol-5-yl)methylidene]-4,5,6,7-tetrafluoroindene-1,3-dione;2-[[4-ethyl-2-(2,4,6-trimethylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione is sourced from PubChem (CID 159080733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).