2-[[6-[bis(2,6-ditert-butyl-4-pyridinyl)amino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4,4-dimethyl-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[4,4-dimethyl-6-(N-(6-phenyl-3-pyridinyl)anilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4,4-dimethyl-6-(N-quinolin-3-ylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-methyl-6-(N-phenylanilino)-4-(trifluoromethyl)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione

C213H162F5N9O10S5 — CID 159989835

About 2-[[6-[bis(2,6-ditert-butyl-4-pyridinyl)amino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4,4-dimethyl-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[4,4-dimethyl-6-(N-(6-phenyl-3-pyridinyl)anilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4,4-dimethyl-6-(N-quinolin-3-ylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-methyl-6-(N-phenylanilino)-4-(trifluoromethyl)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione

2-[[6-[bis(2,6-ditert-butyl-4-pyridinyl)amino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4,4-dimethyl-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[4,4-dimethyl-6-(N-(6-phenyl-3-pyridinyl)anilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4,4-dimethyl-6-(N-quinolin-3-ylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-methyl-6-(N-phenylanilino)-4-(trifluoromethyl)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione (PubChem CID 159989835) has the molecular formula C213H162F5N9O10S5 and a molecular weight of 3263.02 g/mol. Its IUPAC name is 2-[[6-[bis(2,6-ditert-butyl-4-pyridinyl)amino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4,4-dimethyl-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[4,4-dimethyl-6-(N-(6-phenyl-3-pyridinyl)anilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4,4-dimethyl-6-(N-quinolin-3-ylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-methyl-6-(N-phenylanilino)-4-(trifluoromethyl)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione.

Molecular Properties

• Compound Name: 2-[[6-[bis(2,6-ditert-butyl-4-pyridinyl)amino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4,4-dimethyl-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[4,4-dimethyl-6-(N-(6-phenyl-3-pyridinyl)anilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4,4-dimethyl-6-(N-quinolin-3-ylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-methyl-6-(N-phenylanilino)-4-(trifluoromethyl)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
• PubChem CID: 159989835
• Molecular Formula: C213H162F5N9O10S5
• Molecular Weight: 3263.02 g/mol
• Exact Mass: 3260.10
• IUPAC Name: 2-[[6-[bis(2,6-ditert-butyl-4-pyridinyl)amino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4,4-dimethyl-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[4,4-dimethyl-6-(N-(6-phenyl-3-pyridinyl)anilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4,4-dimethyl-6-(N-quinolin-3-ylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-methyl-6-(N-phenylanilino)-4-(trifluoromethyl)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
• SMILES: CC(C)(C)c1cc(N(c2cc(C(C)(C)C)nc(C(C)(C)C)c2)c2ccc3c(c2)C(C)(C)c2cc(C=C4C(=O)c5cc6ccccc6cc5C4=O)sc2-3)cc(C(C)(C)C)n1.CC1(C(F)(F)F)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2sc(C=C3C(=O)c4cc5ccccc5cc4C3=O)cc21.CC1(C)c2cc(N(c3ccccc3)c3ccc(-c4ccccc4)nc3)ccc2-c2sc(C=C3C(=O)c4cc5ccccc5cc4C3=O)cc21.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2sc(C=C3C(=O)c4cc(F)c(F)cc4C3=O)cc21.CC1(C)c2cc(N(c3ccccc3)c3cnc4ccccc4c3)ccc2-c2sc(C=C3C(=O)c4cc5ccccc5cc4C3=O)cc21
• InChI: InChI=1S/C53H57N3O2S.C44H30N2O2S.C42H28N2O2S.C39H24F3NO2S.C35H23F2NO2S/c1-49(2,3)42-24-33(25-43(54-42)50(4,5)6)56(34-26-44(51(7,8)9)55-45(27-34)52(10,11)12)32-19-20-36-40(23-32)53(13,14)41-29-35(59-48(36)41)28-39-46(57)37-21-30-17-15-16-18-31(30)22-38(37)47(39)58;1-44(2)38-23-31(46(30-15-7-4-8-16-30)32-18-20-40(45-26-32)27-11-5-3-6-12-27)17-19-34(38)43-39(44)25-33(49-43)24-37-41(47)35-21-28-13-9-10-14-29(28)22-36(35)42(37)48;1-42(2)36-21-29(44(28-13-4-3-5-14-28)30-18-27-12-8-9-15-38(27)43-24-30)16-17-32(36)41-37(42)23-31(47-41)22-35-39(45)33-19-25-10-6-7-11-26(25)20-34(33)40(35)46;1-38(39(40,41)42)33-20-27(43(25-12-4-2-5-13-25)26-14-6-3-7-15-26)16-17-29(33)37-34(38)22-28(46-37)21-32-35(44)30-18-23-10-8-9-11-24(23)19-31(30)36(32)45;1-35(2)28-15-22(38(20-9-5-3-6-10-20)21-11-7-4-8-12-21)13-14-24(28)34-29(35)17-23(41-34)16-27-32(39)25-18-30(36)31(37)19-26(25)33(27)40/h15-29H,1-14H3;3-26H,1-2H3;3-24H,1-2H3;2-22H,1H3;3-19H,1-2H3
• InChIKey: OGURRIZNTDFIIC-UHFFFAOYSA-N
• XLogP: 55.96
• TPSA: 238.46 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 21
• Heavy Atoms: 242
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3263.02
LogP ≤ 5	55.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

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-[[6-[bis(2,6-ditert-butyl-4-pyridinyl)amino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4,4-dimethyl-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[4,4-dimethyl-6-(N-(6-phenyl-3-pyridinyl)anilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4,4-dimethyl-6-(N-quinolin-3-ylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-methyl-6-(N-phenylanilino)-4-(trifluoromethyl)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?

The IUPAC name of 2-[[6-[bis(2,6-ditert-butyl-4-pyridinyl)amino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4,4-dimethyl-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[4,4-dimethyl-6-(N-(6-phenyl-3-pyridinyl)anilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4,4-dimethyl-6-(N-quinolin-3-ylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-methyl-6-(N-phenylanilino)-4-(trifluoromethyl)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione (CID 159989835) is 2-[[6-[bis(2,6-ditert-butyl-4-pyridinyl)amino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4,4-dimethyl-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[4,4-dimethyl-6-(N-(6-phenyl-3-pyridinyl)anilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4,4-dimethyl-6-(N-quinolin-3-ylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-methyl-6-(N-phenylanilino)-4-(trifluoromethyl)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione.

What is the SMILES notation for 2-[[6-[bis(2,6-ditert-butyl-4-pyridinyl)amino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4,4-dimethyl-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[4,4-dimethyl-6-(N-(6-phenyl-3-pyridinyl)anilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4,4-dimethyl-6-(N-quinolin-3-ylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-methyl-6-(N-phenylanilino)-4-(trifluoromethyl)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?

The canonical SMILES for 2-[[6-[bis(2,6-ditert-butyl-4-pyridinyl)amino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4,4-dimethyl-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[4,4-dimethyl-6-(N-(6-phenyl-3-pyridinyl)anilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4,4-dimethyl-6-(N-quinolin-3-ylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-methyl-6-(N-phenylanilino)-4-(trifluoromethyl)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione is CC(C)(C)c1cc(N(c2cc(C(C)(C)C)nc(C(C)(C)C)c2)c2ccc3c(c2)C(C)(C)c2cc(C=C4C(=O)c5cc6ccccc6cc5C4=O)sc2-3)cc(C(C)(C)C)n1.CC1(C(F)(F)F)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2sc(C=C3C(=O)c4cc5ccccc5cc4C3=O)cc21.CC1(C)c2cc(N(c3ccccc3)c3ccc(-c4ccccc4)nc3)ccc2-c2sc(C=C3C(=O)c4cc5ccccc5cc4C3=O)cc21.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2sc(C=C3C(=O)c4cc(F)c(F)cc4C3=O)cc21.CC1(C)c2cc(N(c3ccccc3)c3cnc4ccccc4c3)ccc2-c2sc(C=C3C(=O)c4cc5ccccc5cc4C3=O)cc21.

What is the InChIKey of 2-[[6-[bis(2,6-ditert-butyl-4-pyridinyl)amino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4,4-dimethyl-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[4,4-dimethyl-6-(N-(6-phenyl-3-pyridinyl)anilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4,4-dimethyl-6-(N-quinolin-3-ylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-methyl-6-(N-phenylanilino)-4-(trifluoromethyl)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?

The InChIKey is OGURRIZNTDFIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H57N3O2S.C44H30N2O2S.C42H28N2O2S.C39H24F3NO2S.C35H23F2NO2S/c1-49(2,3)42-24-33(25-43(54-42)50(4,5)6)56(34-26-44(51(7,8)9)55-45(27-34)52(10,11)12)32-19-20-36-40(23-32)53(13,14)41-29-35(59-48(36)41)28-39-46(57)37-21-30-17-15-16-18-31(30)22-38(37)47(39)58;1-44(2)38-23-31(46(30-15-7-4-8-16-30)32-18-20-40(45-26-32)27-11-5-3-6-12-27)17-19-34(38)43-39(44)25-33(49-43)24-37-41(47)35-21-28-13-9-10-14-29(28)22-36(35)42(37)48;1-42(2)36-21-29(44(28-13-4-3-5-14-28)30-18-27-12-8-9-15-38(27)43-24-30)16-17-32(36)41-37(42)23-31(47-41)22-35-39(45)33-19-25-10-6-7-11-26(25)20-34(33)40(35)46;1-38(39(40,41)42)33-20-27(43(25-12-4-2-5-13-25)26-14-6-3-7-15-26)16-17-29(33)37-34(38)22-28(46-37)21-32-35(44)30-18-23-10-8-9-11-24(23)19-31(30)36(32)45;1-35(2)28-15-22(38(20-9-5-3-6-10-20)21-11-7-4-8-12-21)13-14-24(28)34-29(35)17-23(41-34)16-27-32(39)25-18-30(36)31(37)19-26(25)33(27)40/h15-29H,1-14H3;3-26H,1-2H3;3-24H,1-2H3;2-22H,1H3;3-19H,1-2H3.

What are the key properties of 2-[[6-[bis(2,6-ditert-butyl-4-pyridinyl)amino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4,4-dimethyl-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[4,4-dimethyl-6-(N-(6-phenyl-3-pyridinyl)anilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4,4-dimethyl-6-(N-quinolin-3-ylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-methyl-6-(N-phenylanilino)-4-(trifluoromethyl)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?

2-[[6-[bis(2,6-ditert-butyl-4-pyridinyl)amino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4,4-dimethyl-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[4,4-dimethyl-6-(N-(6-phenyl-3-pyridinyl)anilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4,4-dimethyl-6-(N-quinolin-3-ylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-methyl-6-(N-phenylanilino)-4-(trifluoromethyl)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione has a molecular weight of 3263.02 g/mol, XLogP of 55.96, 21 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-[bis(2,6-ditert-butyl-4-pyridinyl)amino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4,4-dimethyl-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]-5,6-difluoroindene-1,3-dione;2-[[4,4-dimethyl-6-(N-(6-phenyl-3-pyridinyl)anilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4,4-dimethyl-6-(N-quinolin-3-ylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-methyl-6-(N-phenylanilino)-4-(trifluoromethyl)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione is sourced from PubChem (CID 159989835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).