2-[(4-cyclohexyl-2-naphthalen-1-ylfuro[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-[(4-ethyl-2-naphthalen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-methyl-2-[2-(trifluoromethyl)phenyl]furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione

C140H94F3N5O14S — CID 159830402

About 2-[(4-cyclohexyl-2-naphthalen-1-ylfuro[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-[(4-ethyl-2-naphthalen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-methyl-2-[2-(trifluoromethyl)phenyl]furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione

2-[(4-cyclohexyl-2-naphthalen-1-ylfuro[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-[(4-ethyl-2-naphthalen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-methyl-2-[2-(trifluoromethyl)phenyl]furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione (PubChem CID 159830402) has the molecular formula C140H94F3N5O14S and a molecular weight of 2159.37 g/mol. Its IUPAC name is 2-[(4-cyclohexyl-2-naphthalen-1-ylfuro[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-[(4-ethyl-2-naphthalen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-methyl-2-[2-(trifluoromethyl)phenyl]furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione.

Molecular Properties

• Compound Name: 2-[(4-cyclohexyl-2-naphthalen-1-ylfuro[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-[(4-ethyl-2-naphthalen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-methyl-2-[2-(trifluoromethyl)phenyl]furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
• PubChem CID: 159830402
• Molecular Formula: C140H94F3N5O14S
• Molecular Weight: 2159.37 g/mol
• Exact Mass: 2157.65
• IUPAC Name: 2-[(4-cyclohexyl-2-naphthalen-1-ylfuro[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-[(4-ethyl-2-naphthalen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-methyl-2-[2-(trifluoromethyl)phenyl]furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
• SMILES: CCn1c(C=C2C(=O)c3cc4ccccc4cc3C2=O)cc2oc(-c3ccc4ccccc4c3)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)cc2oc(-c3ccccc3C(F)(F)F)cc21.O=C1C(=Cc2cc3oc(-c4cccc5ccccc45)cc3n2C2CCCCC2)C(=O)c2cc3ccccc3cc21
• InChI: InChI=1S/C36H27NO3.C32H21NO3.C28H16F3NO3.C22H15NO3.C22H15NO2S/c38-35-29-17-23-10-4-5-11-24(23)18-30(29)36(39)31(35)19-26-20-34-32(37(26)25-13-2-1-3-14-25)21-33(40-34)28-16-8-12-22-9-6-7-15-27(22)28;1-2-33-24(16-27-31(34)25-14-21-9-5-6-10-22(21)15-26(25)32(27)35)17-30-28(33)18-29(36-30)23-12-11-19-7-3-4-8-20(19)13-23;1-32-17(12-21-26(33)19-10-15-6-2-3-7-16(15)11-20(19)27(21)34)13-25-23(32)14-24(35-25)18-8-4-5-9-22(18)28(29,30)31;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/h4-12,15-21,25H,1-3,13-14H2;3-18H,2H2,1H3;2-14H,1H3;2*3-11H,1-2H3
• InChIKey: NNJSIHHDMNVNMV-UHFFFAOYSA-N
• XLogP: 33.80
• TPSA: 247.91 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 10
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2159.37
LogP ≤ 5	33.80
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclohexyl-2-naphthalen-1-ylfuro[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-[(4-ethyl-2-naphthalen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-methyl-2-[2-(trifluoromethyl)phenyl]furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?

The IUPAC name of 2-[(4-cyclohexyl-2-naphthalen-1-ylfuro[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-[(4-ethyl-2-naphthalen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-methyl-2-[2-(trifluoromethyl)phenyl]furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione (CID 159830402) is 2-[(4-cyclohexyl-2-naphthalen-1-ylfuro[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-[(4-ethyl-2-naphthalen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-methyl-2-[2-(trifluoromethyl)phenyl]furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione.

What is the SMILES notation for 2-[(4-cyclohexyl-2-naphthalen-1-ylfuro[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-[(4-ethyl-2-naphthalen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-methyl-2-[2-(trifluoromethyl)phenyl]furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?

The canonical SMILES for 2-[(4-cyclohexyl-2-naphthalen-1-ylfuro[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-[(4-ethyl-2-naphthalen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-methyl-2-[2-(trifluoromethyl)phenyl]furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione is CCn1c(C=C2C(=O)c3cc4ccccc4cc3C2=O)cc2oc(-c3ccc4ccccc4c3)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)cc2oc(-c3ccccc3C(F)(F)F)cc21.O=C1C(=Cc2cc3oc(-c4cccc5ccccc45)cc3n2C2CCCCC2)C(=O)c2cc3ccccc3cc21.

What is the InChIKey of 2-[(4-cyclohexyl-2-naphthalen-1-ylfuro[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-[(4-ethyl-2-naphthalen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-methyl-2-[2-(trifluoromethyl)phenyl]furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?

The InChIKey is NNJSIHHDMNVNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27NO3.C32H21NO3.C28H16F3NO3.C22H15NO3.C22H15NO2S/c38-35-29-17-23-10-4-5-11-24(23)18-30(29)36(39)31(35)19-26-20-34-32(37(26)25-13-2-1-3-14-25)21-33(40-34)28-16-8-12-22-9-6-7-15-27(22)28;1-2-33-24(16-27-31(34)25-14-21-9-5-6-10-22(21)15-26(25)32(27)35)17-30-28(33)18-29(36-30)23-12-11-19-7-3-4-8-20(19)13-23;1-32-17(12-21-26(33)19-10-15-6-2-3-7-16(15)11-20(19)27(21)34)13-25-23(32)14-24(35-25)18-8-4-5-9-22(18)28(29,30)31;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/h4-12,15-21,25H,1-3,13-14H2;3-18H,2H2,1H3;2-14H,1H3;2*3-11H,1-2H3.

What are the key properties of 2-[(4-cyclohexyl-2-naphthalen-1-ylfuro[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-[(4-ethyl-2-naphthalen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-methyl-2-[2-(trifluoromethyl)phenyl]furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?

2-[(4-cyclohexyl-2-naphthalen-1-ylfuro[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-[(4-ethyl-2-naphthalen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-methyl-2-[2-(trifluoromethyl)phenyl]furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione has a molecular weight of 2159.37 g/mol, XLogP of 33.80, 10 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-cyclohexyl-2-naphthalen-1-ylfuro[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-[(4-ethyl-2-naphthalen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-methyl-2-[2-(trifluoromethyl)phenyl]furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione is sourced from PubChem (CID 159830402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).