2-[[2-(4-tert-butylphenyl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[2-(4-chlorophenyl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]-4,5,6,7-tetrafluoroindene-1,3-dione;2-[[4-ethyl-2-(4-methylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-ethyl-2-(2,3,4,5,6-pentafluorophenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-ethyl-2-[2-(trifluoromethyl)phenyl]furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione

C142H92ClF12N5O15 — CID 161427786

About 2-[[2-(4-tert-butylphenyl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[2-(4-chlorophenyl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]-4,5,6,7-tetrafluoroindene-1,3-dione;2-[[4-ethyl-2-(4-methylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-ethyl-2-(2,3,4,5,6-pentafluorophenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-ethyl-2-[2-(trifluoromethyl)phenyl]furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione

2-[[2-(4-tert-butylphenyl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[2-(4-chlorophenyl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]-4,5,6,7-tetrafluoroindene-1,3-dione;2-[[4-ethyl-2-(4-methylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-ethyl-2-(2,3,4,5,6-pentafluorophenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-ethyl-2-[2-(trifluoromethyl)phenyl]furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione (PubChem CID 161427786) has the molecular formula C142H92ClF12N5O15 and a molecular weight of 2371.75 g/mol. Its IUPAC name is 2-[[2-(4-tert-butylphenyl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[2-(4-chlorophenyl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]-4,5,6,7-tetrafluoroindene-1,3-dione;2-[[4-ethyl-2-(4-methylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-ethyl-2-(2,3,4,5,6-pentafluorophenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-ethyl-2-[2-(trifluoromethyl)phenyl]furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione.

Molecular Properties

• Compound Name: 2-[[2-(4-tert-butylphenyl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[2-(4-chlorophenyl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]-4,5,6,7-tetrafluoroindene-1,3-dione;2-[[4-ethyl-2-(4-methylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-ethyl-2-(2,3,4,5,6-pentafluorophenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-ethyl-2-[2-(trifluoromethyl)phenyl]furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
• PubChem CID: 161427786
• Molecular Formula: C142H92ClF12N5O15
• Molecular Weight: 2371.75 g/mol
• Exact Mass: 2369.61
• IUPAC Name: 2-[[2-(4-tert-butylphenyl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[2-(4-chlorophenyl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]-4,5,6,7-tetrafluoroindene-1,3-dione;2-[[4-ethyl-2-(4-methylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-ethyl-2-(2,3,4,5,6-pentafluorophenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-ethyl-2-[2-(trifluoromethyl)phenyl]furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
• SMILES: CCn1c(C=C2C(=O)c3c(F)c(F)c(F)c(F)c3C2=O)cc2oc(-c3ccc(Cl)cc3)cc21.CCn1c(C=C2C(=O)c3cc4ccccc4cc3C2=O)cc2oc(-c3c(F)c(F)c(F)c(F)c3F)cc21.CCn1c(C=C2C(=O)c3cc4ccccc4cc3C2=O)cc2oc(-c3ccc(C(C)(C)C)cc3)cc21.CCn1c(C=C2C(=O)c3cc4ccccc4cc3C2=O)cc2oc(-c3ccc(C)cc3)cc21.CCn1c(C=C2C(=O)c3cc4ccccc4cc3C2=O)cc2oc(-c3ccccc3C(F)(F)F)cc21
• InChI: InChI=1S/C32H27NO3.C29H18F3NO3.C29H21NO3.C28H14F5NO3.C24H12ClF4NO3/c1-5-33-23(16-26-30(34)24-14-20-8-6-7-9-21(20)15-25(24)31(26)35)17-29-27(33)18-28(36-29)19-10-12-22(13-11-19)32(2,3)4;1-2-33-18(13-22-27(34)20-11-16-7-3-4-8-17(16)12-21(20)28(22)35)14-26-24(33)15-25(36-26)19-9-5-6-10-23(19)29(30,31)32;1-3-30-21(15-27-25(30)16-26(33-27)18-10-8-17(2)9-11-18)14-24-28(31)22-12-19-6-4-5-7-20(19)13-23(22)29(24)32;1-2-34-14(9-17-27(35)15-7-12-5-3-4-6-13(12)8-16(15)28(17)36)10-19-18(34)11-20(37-19)21-22(29)24(31)26(33)25(32)23(21)30;1-2-30-12(8-16-14(30)9-15(33-16)10-3-5-11(25)6-4-10)7-13-23(31)17-18(24(13)32)20(27)22(29)21(28)19(17)26/h6-18H,5H2,1-4H3;3-15H,2H2,1H3;4-16H,3H2,1-2H3;3-11H,2H2,1H3;3-9H,2H2,1H3
• InChIKey: VXPGMRFDJULDME-UHFFFAOYSA-N
• XLogP: 36.06
• TPSA: 261.05 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2371.75
LogP ≤ 5	36.06
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-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[2-(4-chlorophenyl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]-4,5,6,7-tetrafluoroindene-1,3-dione;2-[[4-ethyl-2-(4-methylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-ethyl-2-(2,3,4,5,6-pentafluorophenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-ethyl-2-[2-(trifluoromethyl)phenyl]furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?

The IUPAC name of 2-[[2-(4-tert-butylphenyl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[2-(4-chlorophenyl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]-4,5,6,7-tetrafluoroindene-1,3-dione;2-[[4-ethyl-2-(4-methylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-ethyl-2-(2,3,4,5,6-pentafluorophenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-ethyl-2-[2-(trifluoromethyl)phenyl]furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione (CID 161427786) is 2-[[2-(4-tert-butylphenyl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[2-(4-chlorophenyl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]-4,5,6,7-tetrafluoroindene-1,3-dione;2-[[4-ethyl-2-(4-methylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-ethyl-2-(2,3,4,5,6-pentafluorophenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-ethyl-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-[[2-(4-tert-butylphenyl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[2-(4-chlorophenyl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]-4,5,6,7-tetrafluoroindene-1,3-dione;2-[[4-ethyl-2-(4-methylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-ethyl-2-(2,3,4,5,6-pentafluorophenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-ethyl-2-[2-(trifluoromethyl)phenyl]furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?

The canonical SMILES for 2-[[2-(4-tert-butylphenyl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[2-(4-chlorophenyl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]-4,5,6,7-tetrafluoroindene-1,3-dione;2-[[4-ethyl-2-(4-methylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-ethyl-2-(2,3,4,5,6-pentafluorophenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-ethyl-2-[2-(trifluoromethyl)phenyl]furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione is CCn1c(C=C2C(=O)c3c(F)c(F)c(F)c(F)c3C2=O)cc2oc(-c3ccc(Cl)cc3)cc21.CCn1c(C=C2C(=O)c3cc4ccccc4cc3C2=O)cc2oc(-c3c(F)c(F)c(F)c(F)c3F)cc21.CCn1c(C=C2C(=O)c3cc4ccccc4cc3C2=O)cc2oc(-c3ccc(C(C)(C)C)cc3)cc21.CCn1c(C=C2C(=O)c3cc4ccccc4cc3C2=O)cc2oc(-c3ccc(C)cc3)cc21.CCn1c(C=C2C(=O)c3cc4ccccc4cc3C2=O)cc2oc(-c3ccccc3C(F)(F)F)cc21.

What is the InChIKey of 2-[[2-(4-tert-butylphenyl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[2-(4-chlorophenyl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]-4,5,6,7-tetrafluoroindene-1,3-dione;2-[[4-ethyl-2-(4-methylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-ethyl-2-(2,3,4,5,6-pentafluorophenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-ethyl-2-[2-(trifluoromethyl)phenyl]furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?

The InChIKey is VXPGMRFDJULDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27NO3.C29H18F3NO3.C29H21NO3.C28H14F5NO3.C24H12ClF4NO3/c1-5-33-23(16-26-30(34)24-14-20-8-6-7-9-21(20)15-25(24)31(26)35)17-29-27(33)18-28(36-29)19-10-12-22(13-11-19)32(2,3)4;1-2-33-18(13-22-27(34)20-11-16-7-3-4-8-17(16)12-21(20)28(22)35)14-26-24(33)15-25(36-26)19-9-5-6-10-23(19)29(30,31)32;1-3-30-21(15-27-25(30)16-26(33-27)18-10-8-17(2)9-11-18)14-24-28(31)22-12-19-6-4-5-7-20(19)13-23(22)29(24)32;1-2-34-14(9-17-27(35)15-7-12-5-3-4-6-13(12)8-16(15)28(17)36)10-19-18(34)11-20(37-19)21-22(29)24(31)26(33)25(32)23(21)30;1-2-30-12(8-16-14(30)9-15(33-16)10-3-5-11(25)6-4-10)7-13-23(31)17-18(24(13)32)20(27)22(29)21(28)19(17)26/h6-18H,5H2,1-4H3;3-15H,2H2,1H3;4-16H,3H2,1-2H3;3-11H,2H2,1H3;3-9H,2H2,1H3.

What are the key properties of 2-[[2-(4-tert-butylphenyl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[2-(4-chlorophenyl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]-4,5,6,7-tetrafluoroindene-1,3-dione;2-[[4-ethyl-2-(4-methylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-ethyl-2-(2,3,4,5,6-pentafluorophenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-ethyl-2-[2-(trifluoromethyl)phenyl]furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?

2-[[2-(4-tert-butylphenyl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[2-(4-chlorophenyl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]-4,5,6,7-tetrafluoroindene-1,3-dione;2-[[4-ethyl-2-(4-methylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-ethyl-2-(2,3,4,5,6-pentafluorophenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-ethyl-2-[2-(trifluoromethyl)phenyl]furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione has a molecular weight of 2371.75 g/mol, XLogP of 36.06, 15 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-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[2-(4-chlorophenyl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]-4,5,6,7-tetrafluoroindene-1,3-dione;2-[[4-ethyl-2-(4-methylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-ethyl-2-(2,3,4,5,6-pentafluorophenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-ethyl-2-[2-(trifluoromethyl)phenyl]furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione is sourced from PubChem (CID 161427786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).