2-[[2-(4-tert-butylphenyl)-4-methylthieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;5,6-dichloro-2-[[4-(3,5-ditert-butylphenyl)-2-(4-methylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]indene-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-thiophen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]-5,6-difluoroindene-1,3-dione;2-[(1-methyl-5-phenylindol-2-yl)methylidene]indene-1,3-dione

C143H101Cl2F6N5O11S4 — CID 158776045

IUPAC2-[[2-(4-tert-butylphenyl)-4-methylthieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;5,6-dichloro-2-[[4-(3,5-ditert-butylphenyl)-2-(4-methylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]indene-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-thiophen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]-5,6-difluoroindene-1,3-dione;2-[(1-methyl-5-phenylindol-2-yl)methylidene]indene-1,3-dione
SMILESCCn1c(C=C2C(=O)c3cc(F)c(F)cc3C2=O)cc2oc(-c3cccs3)cc21.Cc1ccc(-c2cc3c(cc(C=C4C(=O)c5cc(Cl)c(Cl)cc5C4=O)n3-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)s2)cc1.Cn1c(C=C2C(=O)c3cc4ccccc4cc3C2=O)cc2sc(-c3ccc(C(C)(C)C)cc3)cc21.Cn1c(C=C2C(=O)c3ccccc3C2=O)cc2cc(-c3ccccc3)ccc21.O=C1C(=Cc2cc3sc(-c4ccccc4)cc3n2-c2ccccc2)C(=O)c2c(F)c(F)c(F)c(F)c21
InChIInChI=1S/C37H33Cl2NO2S.C31H25NO2S.C28H13F4NO2S.C25H17NO2.C22H13F2NO3S/c1-20-8-10-21(11-9-20)32-19-31-33(43-32)16-25(15-28-34(41)26-17-29(38)30(39)18-27(26)35(28)42)40(31)24-13-22(36(2,3)4)12-23(14-24)37(5,6)7;1-31(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;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;1-26-19(15-22-24(27)20-9-5-6-10-21(20)25(22)28)14-18-13-17(11-12-23(18)26)16-7-3-2-4-8-16;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/h8-19H,1-7H3;5-17H,1-4H3;1-13H;2-15H,1H3;3-10H,2H2,1H3
InChIKeyIQMDNBQPPHWUDC-UHFFFAOYSA-N
MW2378.57 g/mol
LogP37.26
Rot. Bonds13

About 2-[[2-(4-tert-butylphenyl)-4-methylthieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;5,6-dichloro-2-[[4-(3,5-ditert-butylphenyl)-2-(4-methylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]indene-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-thiophen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]-5,6-difluoroindene-1,3-dione;2-[(1-methyl-5-phenylindol-2-yl)methylidene]indene-1,3-dione

2-[[2-(4-tert-butylphenyl)-4-methylthieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;5,6-dichloro-2-[[4-(3,5-ditert-butylphenyl)-2-(4-methylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]indene-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-thiophen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]-5,6-difluoroindene-1,3-dione;2-[(1-methyl-5-phenylindol-2-yl)methylidene]indene-1,3-dione (PubChem CID 158776045) has the molecular formula C143H101Cl2F6N5O11S4 and a molecular weight of 2378.57 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;5,6-dichloro-2-[[4-(3,5-ditert-butylphenyl)-2-(4-methylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]indene-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-thiophen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]-5,6-difluoroindene-1,3-dione;2-[(1-methyl-5-phenylindol-2-yl)methylidene]indene-1,3-dione.

Molecular Properties

Compound Name2-[[2-(4-tert-butylphenyl)-4-methylthieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;5,6-dichloro-2-[[4-(3,5-ditert-butylphenyl)-2-(4-methylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]indene-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-thiophen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]-5,6-difluoroindene-1,3-dione;2-[(1-methyl-5-phenylindol-2-yl)methylidene]indene-1,3-dione
PubChem CID158776045
Molecular FormulaC143H101Cl2F6N5O11S4
Molecular Weight2378.57 g/mol
Exact Mass2375.57
IUPAC Name2-[[2-(4-tert-butylphenyl)-4-methylthieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;5,6-dichloro-2-[[4-(3,5-ditert-butylphenyl)-2-(4-methylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]indene-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-thiophen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]-5,6-difluoroindene-1,3-dione;2-[(1-methyl-5-phenylindol-2-yl)methylidene]indene-1,3-dione
SMILESCCn1c(C=C2C(=O)c3cc(F)c(F)cc3C2=O)cc2oc(-c3cccs3)cc21.Cc1ccc(-c2cc3c(cc(C=C4C(=O)c5cc(Cl)c(Cl)cc5C4=O)n3-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)s2)cc1.Cn1c(C=C2C(=O)c3cc4ccccc4cc3C2=O)cc2sc(-c3ccc(C(C)(C)C)cc3)cc21.Cn1c(C=C2C(=O)c3ccccc3C2=O)cc2cc(-c3ccccc3)ccc21.O=C1C(=Cc2cc3sc(-c4ccccc4)cc3n2-c2ccccc2)C(=O)c2c(F)c(F)c(F)c(F)c21
InChIInChI=1S/C37H33Cl2NO2S.C31H25NO2S.C28H13F4NO2S.C25H17NO2.C22H13F2NO3S/c1-20-8-10-21(11-9-20)32-19-31-33(43-32)16-25(15-28-34(41)26-17-29(38)30(39)18-27(26)35(28)42)40(31)24-13-22(36(2,3)4)12-23(14-24)37(5,6)7;1-31(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;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;1-26-19(15-22-24(27)20-9-5-6-10-21(20)25(22)28)14-18-13-17(11-12-23(18)26)16-7-3-2-4-8-16;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/h8-19H,1-7H3;5-17H,1-4H3;1-13H;2-15H,1H3;3-10H,2H2,1H3
InChIKeyIQMDNBQPPHWUDC-UHFFFAOYSA-N
XLogP37.26
TPSA208.49 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds13
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002378.57
LogP ≤ 537.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

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'}

Analyze 2-[[2-(4-tert-butylphenyl)-4-methylthieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;5,6-dichloro-2-[[4-(3,5-ditert-butylphenyl)-2-(4-methylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]indene-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-thiophen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]-5,6-difluoroindene-1,3-dione;2-[(1-methyl-5-phenylindol-2-yl)methylidene]indene-1,3-dione with MolForge

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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;5,6-dichloro-2-[[4-(3,5-ditert-butylphenyl)-2-(4-methylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]indene-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-thiophen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]-5,6-difluoroindene-1,3-dione;2-[(1-methyl-5-phenylindol-2-yl)methylidene]indene-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;5,6-dichloro-2-[[4-(3,5-ditert-butylphenyl)-2-(4-methylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]indene-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-thiophen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]-5,6-difluoroindene-1,3-dione;2-[(1-methyl-5-phenylindol-2-yl)methylidene]indene-1,3-dione (CID 158776045) is 2-[[2-(4-tert-butylphenyl)-4-methylthieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;5,6-dichloro-2-[[4-(3,5-ditert-butylphenyl)-2-(4-methylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]indene-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-thiophen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]-5,6-difluoroindene-1,3-dione;2-[(1-methyl-5-phenylindol-2-yl)methylidene]indene-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;5,6-dichloro-2-[[4-(3,5-ditert-butylphenyl)-2-(4-methylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]indene-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-thiophen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]-5,6-difluoroindene-1,3-dione;2-[(1-methyl-5-phenylindol-2-yl)methylidene]indene-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;5,6-dichloro-2-[[4-(3,5-ditert-butylphenyl)-2-(4-methylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]indene-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-thiophen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]-5,6-difluoroindene-1,3-dione;2-[(1-methyl-5-phenylindol-2-yl)methylidene]indene-1,3-dione is CCn1c(C=C2C(=O)c3cc(F)c(F)cc3C2=O)cc2oc(-c3cccs3)cc21.Cc1ccc(-c2cc3c(cc(C=C4C(=O)c5cc(Cl)c(Cl)cc5C4=O)n3-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)s2)cc1.Cn1c(C=C2C(=O)c3cc4ccccc4cc3C2=O)cc2sc(-c3ccc(C(C)(C)C)cc3)cc21.Cn1c(C=C2C(=O)c3ccccc3C2=O)cc2cc(-c3ccccc3)ccc21.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;5,6-dichloro-2-[[4-(3,5-ditert-butylphenyl)-2-(4-methylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]indene-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-thiophen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]-5,6-difluoroindene-1,3-dione;2-[(1-methyl-5-phenylindol-2-yl)methylidene]indene-1,3-dione?
The InChIKey is IQMDNBQPPHWUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33Cl2NO2S.C31H25NO2S.C28H13F4NO2S.C25H17NO2.C22H13F2NO3S/c1-20-8-10-21(11-9-20)32-19-31-33(43-32)16-25(15-28-34(41)26-17-29(38)30(39)18-27(26)35(28)42)40(31)24-13-22(36(2,3)4)12-23(14-24)37(5,6)7;1-31(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;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;1-26-19(15-22-24(27)20-9-5-6-10-21(20)25(22)28)14-18-13-17(11-12-23(18)26)16-7-3-2-4-8-16;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/h8-19H,1-7H3;5-17H,1-4H3;1-13H;2-15H,1H3;3-10H,2H2,1H3.
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;5,6-dichloro-2-[[4-(3,5-ditert-butylphenyl)-2-(4-methylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]indene-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-thiophen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]-5,6-difluoroindene-1,3-dione;2-[(1-methyl-5-phenylindol-2-yl)methylidene]indene-1,3-dione?
2-[[2-(4-tert-butylphenyl)-4-methylthieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;5,6-dichloro-2-[[4-(3,5-ditert-butylphenyl)-2-(4-methylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]indene-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-thiophen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]-5,6-difluoroindene-1,3-dione;2-[(1-methyl-5-phenylindol-2-yl)methylidene]indene-1,3-dione has a molecular weight of 2378.57 g/mol, XLogP of 37.26, 13 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;5,6-dichloro-2-[[4-(3,5-ditert-butylphenyl)-2-(4-methylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]indene-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-thiophen-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]-5,6-difluoroindene-1,3-dione;2-[(1-methyl-5-phenylindol-2-yl)methylidene]indene-1,3-dione is sourced from PubChem (CID 158776045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).