2-[(4-ethyl-2-naphthalen-1-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-ethyl-2-thiophen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]-5,6-difluoroindene-1,3-dione;2-[[4-ethyl-2-(2,4,6-trimethylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2-naphthalen-1-yl-4-propan-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;4,5,6,7-tetrachloro-2-[(4-methyl-2-pyridin-3-ylfuro[3,2-b]pyrrol-5-yl)methylidene]indene-1,3-dione

C140H92Cl4F2N6O15S — CID 158911958

IUPAC2-[(4-ethyl-2-naphthalen-1-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-ethyl-2-thiophen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]-5,6-difluoroindene-1,3-dione;2-[[4-ethyl-2-(2,4,6-trimethylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2-naphthalen-1-yl-4-propan-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;4,5,6,7-tetrachloro-2-[(4-methyl-2-pyridin-3-ylfuro[3,2-b]pyrrol-5-yl)methylidene]indene-1,3-dione
SMILESCC(C)n1c(C=C2C(=O)c3cc4ccccc4cc3C2=O)cc2oc(-c3cccc4ccccc34)cc21.CCn1c(C=C2C(=O)c3cc(F)c(F)cc3C2=O)cc2oc(-c3cccs3)cc21.CCn1c(C=C2C(=O)c3cc4ccccc4cc3C2=O)cc2oc(-c3c(C)cc(C)cc3C)cc21.CCn1c(C=C2C(=O)c3cc4ccccc4cc3C2=O)cc2oc(-c3cccc4ccccc34)cc21.Cn1c(C=C2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc2oc(-c3cccnc3)cc21
InChIInChI=1S/C33H23NO3.C32H21NO3.C31H25NO3.C22H10Cl4N2O3.C22H13F2NO3S/c1-19(2)34-23(16-28-32(35)26-14-21-9-3-4-10-22(21)15-27(26)33(28)36)17-31-29(34)18-30(37-31)25-13-7-11-20-8-5-6-12-24(20)25;1-2-33-22(16-27-31(34)25-14-20-9-3-4-10-21(20)15-26(25)32(27)35)17-30-28(33)18-29(36-30)24-13-7-11-19-8-5-6-12-23(19)24;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;1-28-10(6-14-12(28)7-13(31-14)9-3-2-4-27-8-9)5-11-21(29)15-16(22(11)30)18(24)20(26)19(25)17(15)23;1-2-25-11(7-18-17(25)10-19(28-18)20-4-3-5-29-20)6-14-21(26)12-8-15(23)16(24)9-13(12)22(14)27/h3-19H,1-2H3;3-18H,2H2,1H3;6-16H,5H2,1-4H3;2-8H,1H3;3-10H,2H2,1H3
InChIKeyJGTKCQYVVMXCBF-UHFFFAOYSA-N
MW2310.18 g/mol
LogP36.04
Rot. Bonds14

About 2-[(4-ethyl-2-naphthalen-1-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-ethyl-2-thiophen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]-5,6-difluoroindene-1,3-dione;2-[[4-ethyl-2-(2,4,6-trimethylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2-naphthalen-1-yl-4-propan-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;4,5,6,7-tetrachloro-2-[(4-methyl-2-pyridin-3-ylfuro[3,2-b]pyrrol-5-yl)methylidene]indene-1,3-dione

2-[(4-ethyl-2-naphthalen-1-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-ethyl-2-thiophen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]-5,6-difluoroindene-1,3-dione;2-[[4-ethyl-2-(2,4,6-trimethylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2-naphthalen-1-yl-4-propan-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;4,5,6,7-tetrachloro-2-[(4-methyl-2-pyridin-3-ylfuro[3,2-b]pyrrol-5-yl)methylidene]indene-1,3-dione (PubChem CID 158911958) has the molecular formula C140H92Cl4F2N6O15S and a molecular weight of 2310.18 g/mol. Its IUPAC name is 2-[(4-ethyl-2-naphthalen-1-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-ethyl-2-thiophen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]-5,6-difluoroindene-1,3-dione;2-[[4-ethyl-2-(2,4,6-trimethylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2-naphthalen-1-yl-4-propan-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;4,5,6,7-tetrachloro-2-[(4-methyl-2-pyridin-3-ylfuro[3,2-b]pyrrol-5-yl)methylidene]indene-1,3-dione.

Molecular Properties

Compound Name2-[(4-ethyl-2-naphthalen-1-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-ethyl-2-thiophen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]-5,6-difluoroindene-1,3-dione;2-[[4-ethyl-2-(2,4,6-trimethylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2-naphthalen-1-yl-4-propan-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;4,5,6,7-tetrachloro-2-[(4-methyl-2-pyridin-3-ylfuro[3,2-b]pyrrol-5-yl)methylidene]indene-1,3-dione
PubChem CID158911958
Molecular FormulaC140H92Cl4F2N6O15S
Molecular Weight2310.18 g/mol
Exact Mass2306.51
IUPAC Name2-[(4-ethyl-2-naphthalen-1-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-ethyl-2-thiophen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]-5,6-difluoroindene-1,3-dione;2-[[4-ethyl-2-(2,4,6-trimethylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2-naphthalen-1-yl-4-propan-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;4,5,6,7-tetrachloro-2-[(4-methyl-2-pyridin-3-ylfuro[3,2-b]pyrrol-5-yl)methylidene]indene-1,3-dione
SMILESCC(C)n1c(C=C2C(=O)c3cc4ccccc4cc3C2=O)cc2oc(-c3cccc4ccccc34)cc21.CCn1c(C=C2C(=O)c3cc(F)c(F)cc3C2=O)cc2oc(-c3cccs3)cc21.CCn1c(C=C2C(=O)c3cc4ccccc4cc3C2=O)cc2oc(-c3c(C)cc(C)cc3C)cc21.CCn1c(C=C2C(=O)c3cc4ccccc4cc3C2=O)cc2oc(-c3cccc4ccccc34)cc21.Cn1c(C=C2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc2oc(-c3cccnc3)cc21
InChIInChI=1S/C33H23NO3.C32H21NO3.C31H25NO3.C22H10Cl4N2O3.C22H13F2NO3S/c1-19(2)34-23(16-28-32(35)26-14-21-9-3-4-10-22(21)15-27(26)33(28)36)17-31-29(34)18-30(37-31)25-13-7-11-20-8-5-6-12-24(20)25;1-2-33-22(16-27-31(34)25-14-20-9-3-4-10-21(20)15-26(25)32(27)35)17-30-28(33)18-29(36-30)24-13-7-11-19-8-5-6-12-23(19)24;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;1-28-10(6-14-12(28)7-13(31-14)9-3-2-4-27-8-9)5-11-21(29)15-16(22(11)30)18(24)20(26)19(25)17(15)23;1-2-25-11(7-18-17(25)10-19(28-18)20-4-3-5-29-20)6-14-21(26)12-8-15(23)16(24)9-13(12)22(14)27/h3-19H,1-2H3;3-18H,2H2,1H3;6-16H,5H2,1-4H3;2-8H,1H3;3-10H,2H2,1H3
InChIKeyJGTKCQYVVMXCBF-UHFFFAOYSA-N
XLogP36.04
TPSA273.94 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds14
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002310.18
LogP ≤ 536.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'dyes5A(27)', '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'}

Analyze 2-[(4-ethyl-2-naphthalen-1-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-ethyl-2-thiophen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]-5,6-difluoroindene-1,3-dione;2-[[4-ethyl-2-(2,4,6-trimethylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2-naphthalen-1-yl-4-propan-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;4,5,6,7-tetrachloro-2-[(4-methyl-2-pyridin-3-ylfuro[3,2-b]pyrrol-5-yl)methylidene]indene-1,3-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-2-naphthalen-1-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-ethyl-2-thiophen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]-5,6-difluoroindene-1,3-dione;2-[[4-ethyl-2-(2,4,6-trimethylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2-naphthalen-1-yl-4-propan-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;4,5,6,7-tetrachloro-2-[(4-methyl-2-pyridin-3-ylfuro[3,2-b]pyrrol-5-yl)methylidene]indene-1,3-dione?
The IUPAC name of 2-[(4-ethyl-2-naphthalen-1-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-ethyl-2-thiophen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]-5,6-difluoroindene-1,3-dione;2-[[4-ethyl-2-(2,4,6-trimethylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2-naphthalen-1-yl-4-propan-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;4,5,6,7-tetrachloro-2-[(4-methyl-2-pyridin-3-ylfuro[3,2-b]pyrrol-5-yl)methylidene]indene-1,3-dione (CID 158911958) is 2-[(4-ethyl-2-naphthalen-1-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-ethyl-2-thiophen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]-5,6-difluoroindene-1,3-dione;2-[[4-ethyl-2-(2,4,6-trimethylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2-naphthalen-1-yl-4-propan-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;4,5,6,7-tetrachloro-2-[(4-methyl-2-pyridin-3-ylfuro[3,2-b]pyrrol-5-yl)methylidene]indene-1,3-dione.
What is the SMILES notation for 2-[(4-ethyl-2-naphthalen-1-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-ethyl-2-thiophen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]-5,6-difluoroindene-1,3-dione;2-[[4-ethyl-2-(2,4,6-trimethylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2-naphthalen-1-yl-4-propan-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;4,5,6,7-tetrachloro-2-[(4-methyl-2-pyridin-3-ylfuro[3,2-b]pyrrol-5-yl)methylidene]indene-1,3-dione?
The canonical SMILES for 2-[(4-ethyl-2-naphthalen-1-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-ethyl-2-thiophen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]-5,6-difluoroindene-1,3-dione;2-[[4-ethyl-2-(2,4,6-trimethylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2-naphthalen-1-yl-4-propan-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;4,5,6,7-tetrachloro-2-[(4-methyl-2-pyridin-3-ylfuro[3,2-b]pyrrol-5-yl)methylidene]indene-1,3-dione is CC(C)n1c(C=C2C(=O)c3cc4ccccc4cc3C2=O)cc2oc(-c3cccc4ccccc34)cc21.CCn1c(C=C2C(=O)c3cc(F)c(F)cc3C2=O)cc2oc(-c3cccs3)cc21.CCn1c(C=C2C(=O)c3cc4ccccc4cc3C2=O)cc2oc(-c3c(C)cc(C)cc3C)cc21.CCn1c(C=C2C(=O)c3cc4ccccc4cc3C2=O)cc2oc(-c3cccc4ccccc34)cc21.Cn1c(C=C2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc2oc(-c3cccnc3)cc21.
What is the InChIKey of 2-[(4-ethyl-2-naphthalen-1-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-ethyl-2-thiophen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]-5,6-difluoroindene-1,3-dione;2-[[4-ethyl-2-(2,4,6-trimethylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2-naphthalen-1-yl-4-propan-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;4,5,6,7-tetrachloro-2-[(4-methyl-2-pyridin-3-ylfuro[3,2-b]pyrrol-5-yl)methylidene]indene-1,3-dione?
The InChIKey is JGTKCQYVVMXCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23NO3.C32H21NO3.C31H25NO3.C22H10Cl4N2O3.C22H13F2NO3S/c1-19(2)34-23(16-28-32(35)26-14-21-9-3-4-10-22(21)15-27(26)33(28)36)17-31-29(34)18-30(37-31)25-13-7-11-20-8-5-6-12-24(20)25;1-2-33-22(16-27-31(34)25-14-20-9-3-4-10-21(20)15-26(25)32(27)35)17-30-28(33)18-29(36-30)24-13-7-11-19-8-5-6-12-23(19)24;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;1-28-10(6-14-12(28)7-13(31-14)9-3-2-4-27-8-9)5-11-21(29)15-16(22(11)30)18(24)20(26)19(25)17(15)23;1-2-25-11(7-18-17(25)10-19(28-18)20-4-3-5-29-20)6-14-21(26)12-8-15(23)16(24)9-13(12)22(14)27/h3-19H,1-2H3;3-18H,2H2,1H3;6-16H,5H2,1-4H3;2-8H,1H3;3-10H,2H2,1H3.
What are the key properties of 2-[(4-ethyl-2-naphthalen-1-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-ethyl-2-thiophen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]-5,6-difluoroindene-1,3-dione;2-[[4-ethyl-2-(2,4,6-trimethylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2-naphthalen-1-yl-4-propan-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;4,5,6,7-tetrachloro-2-[(4-methyl-2-pyridin-3-ylfuro[3,2-b]pyrrol-5-yl)methylidene]indene-1,3-dione?
2-[(4-ethyl-2-naphthalen-1-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-ethyl-2-thiophen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]-5,6-difluoroindene-1,3-dione;2-[[4-ethyl-2-(2,4,6-trimethylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2-naphthalen-1-yl-4-propan-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;4,5,6,7-tetrachloro-2-[(4-methyl-2-pyridin-3-ylfuro[3,2-b]pyrrol-5-yl)methylidene]indene-1,3-dione has a molecular weight of 2310.18 g/mol, XLogP of 36.04, 14 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-2-naphthalen-1-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-ethyl-2-thiophen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]-5,6-difluoroindene-1,3-dione;2-[[4-ethyl-2-(2,4,6-trimethylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2-naphthalen-1-yl-4-propan-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;4,5,6,7-tetrachloro-2-[(4-methyl-2-pyridin-3-ylfuro[3,2-b]pyrrol-5-yl)methylidene]indene-1,3-dione is sourced from PubChem (CID 158911958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).