(6E)-6-[[6-[N-(1-benzothiophen-2-yl)anilino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;6-[[6-[bis(2,6-dimethyl-4-pyridinyl)amino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[[6-(N-(3,5-ditert-butylphenyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]indene-1,3-dione;(6E)-6-[[4,4-dimethyl-6-(N-naphthalen-2-ylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[4,4-dimethyl-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione

C186H144N12O10S6 — CID 159817791

About (6E)-6-[[6-[N-(1-benzothiophen-2-yl)anilino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;6-[[6-[bis(2,6-dimethyl-4-pyridinyl)amino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[[6-(N-(3,5-ditert-butylphenyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]indene-1,3-dione;(6E)-6-[[4,4-dimethyl-6-(N-naphthalen-2-ylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[4,4-dimethyl-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione

(6E)-6-[[6-[N-(1-benzothiophen-2-yl)anilino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;6-[[6-[bis(2,6-dimethyl-4-pyridinyl)amino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[[6-(N-(3,5-ditert-butylphenyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]indene-1,3-dione;(6E)-6-[[4,4-dimethyl-6-(N-naphthalen-2-ylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[4,4-dimethyl-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione (PubChem CID 159817791) has the molecular formula C186H144N12O10S6 and a molecular weight of 2899.67 g/mol. Its IUPAC name is (6E)-6-[[6-[N-(1-benzothiophen-2-yl)anilino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;6-[[6-[bis(2,6-dimethyl-4-pyridinyl)amino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[[6-(N-(3,5-ditert-butylphenyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]indene-1,3-dione;(6E)-6-[[4,4-dimethyl-6-(N-naphthalen-2-ylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[4,4-dimethyl-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione.

Molecular Properties

• Compound Name: (6E)-6-[[6-[N-(1-benzothiophen-2-yl)anilino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;6-[[6-[bis(2,6-dimethyl-4-pyridinyl)amino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[[6-(N-(3,5-ditert-butylphenyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]indene-1,3-dione;(6E)-6-[[4,4-dimethyl-6-(N-naphthalen-2-ylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[4,4-dimethyl-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione
• PubChem CID: 159817791
• Molecular Formula: C186H144N12O10S6
• Molecular Weight: 2899.67 g/mol
• Exact Mass: 2896.95
• IUPAC Name: (6E)-6-[[6-[N-(1-benzothiophen-2-yl)anilino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;6-[[6-[bis(2,6-dimethyl-4-pyridinyl)amino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[[6-(N-(3,5-ditert-butylphenyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]indene-1,3-dione;(6E)-6-[[4,4-dimethyl-6-(N-naphthalen-2-ylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[4,4-dimethyl-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione
• SMILES: CC(C)(C)c1cc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2cc(C=C4C(=O)c5ccccc5C4=O)sc2-3)cc(C(C)(C)C)c1.CC1(C)c2cc(N(c3ccccc3)c3cc4ccccc4s3)ccc2-c2sc(/C=C3\C(=O)c4cccnc4C3=O)cc21.CC1(C)c2cc(N(c3ccccc3)c3ccc4ccccc4c3)ccc2-c2sc(/C=C3\C(=O)c4cccnc4C3=O)cc21.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2sc(/C=C3\C(=O)c4cccnc4C3=O)cc21.Cc1cc(N(c2cc(C)nc(C)c2)c2ccc3c(c2)C(C)(C)c2cc(C=C4C(=O)c5nccnc5C4=O)sc2-3)cc(C)n1
• InChI: InChI=1S/C43H41NO2S.C38H26N2O2S.C36H24N2O2S2.C35H29N5O2S.C34H24N2O2S/c1-41(2,3)26-20-27(42(4,5)6)22-30(21-26)44(28-14-10-9-11-15-28)29-18-19-34-36(23-29)43(7,8)37-25-31(47-40(34)37)24-35-38(45)32-16-12-13-17-33(32)39(35)46;1-38(2)32-20-27(40(25-11-4-3-5-12-25)26-15-14-23-9-6-7-10-24(23)19-26)16-17-29(32)37-33(38)22-28(43-37)21-31-35(41)30-13-8-18-39-34(30)36(31)42;1-36(2)28-18-23(38(22-10-4-3-5-11-22)31-17-21-9-6-7-13-30(21)42-31)14-15-25(28)35-29(36)20-24(41-35)19-27-33(39)26-12-8-16-37-32(26)34(27)40;1-18-11-23(12-19(2)38-18)40(24-13-20(3)39-21(4)14-24)22-7-8-26-28(15-22)35(5,6)29-17-25(43-34(26)29)16-27-32(41)30-31(33(27)42)37-10-9-36-30;1-34(2)28-18-23(36(21-10-5-3-6-11-21)22-12-7-4-8-13-22)15-16-25(28)33-29(34)20-24(39-33)19-27-31(37)26-14-9-17-35-30(26)32(27)38/h9-25H,1-8H3;3-22H,1-2H3;3-20H,1-2H3;7-17H,1-6H3;3-20H,1-2H3/b;31-21+;27-19+;;27-19+
• InChIKey: NLVLQGFQQWIVKG-LIVYLWCZSA-N
• XLogP: 46.90
• TPSA: 277.13 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 20
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2899.67
LogP ≤ 5	46.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

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 (6E)-6-[[6-[N-(1-benzothiophen-2-yl)anilino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;6-[[6-[bis(2,6-dimethyl-4-pyridinyl)amino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[[6-(N-(3,5-ditert-butylphenyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]indene-1,3-dione;(6E)-6-[[4,4-dimethyl-6-(N-naphthalen-2-ylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[4,4-dimethyl-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione?

The IUPAC name of (6E)-6-[[6-[N-(1-benzothiophen-2-yl)anilino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;6-[[6-[bis(2,6-dimethyl-4-pyridinyl)amino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[[6-(N-(3,5-ditert-butylphenyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]indene-1,3-dione;(6E)-6-[[4,4-dimethyl-6-(N-naphthalen-2-ylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[4,4-dimethyl-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione (CID 159817791) is (6E)-6-[[6-[N-(1-benzothiophen-2-yl)anilino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;6-[[6-[bis(2,6-dimethyl-4-pyridinyl)amino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[[6-(N-(3,5-ditert-butylphenyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]indene-1,3-dione;(6E)-6-[[4,4-dimethyl-6-(N-naphthalen-2-ylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[4,4-dimethyl-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione.

What is the SMILES notation for (6E)-6-[[6-[N-(1-benzothiophen-2-yl)anilino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;6-[[6-[bis(2,6-dimethyl-4-pyridinyl)amino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[[6-(N-(3,5-ditert-butylphenyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]indene-1,3-dione;(6E)-6-[[4,4-dimethyl-6-(N-naphthalen-2-ylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[4,4-dimethyl-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione?

The canonical SMILES for (6E)-6-[[6-[N-(1-benzothiophen-2-yl)anilino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;6-[[6-[bis(2,6-dimethyl-4-pyridinyl)amino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[[6-(N-(3,5-ditert-butylphenyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]indene-1,3-dione;(6E)-6-[[4,4-dimethyl-6-(N-naphthalen-2-ylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[4,4-dimethyl-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione is CC(C)(C)c1cc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2cc(C=C4C(=O)c5ccccc5C4=O)sc2-3)cc(C(C)(C)C)c1.CC1(C)c2cc(N(c3ccccc3)c3cc4ccccc4s3)ccc2-c2sc(/C=C3\C(=O)c4cccnc4C3=O)cc21.CC1(C)c2cc(N(c3ccccc3)c3ccc4ccccc4c3)ccc2-c2sc(/C=C3\C(=O)c4cccnc4C3=O)cc21.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2sc(/C=C3\C(=O)c4cccnc4C3=O)cc21.Cc1cc(N(c2cc(C)nc(C)c2)c2ccc3c(c2)C(C)(C)c2cc(C=C4C(=O)c5nccnc5C4=O)sc2-3)cc(C)n1.

What is the InChIKey of (6E)-6-[[6-[N-(1-benzothiophen-2-yl)anilino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;6-[[6-[bis(2,6-dimethyl-4-pyridinyl)amino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[[6-(N-(3,5-ditert-butylphenyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]indene-1,3-dione;(6E)-6-[[4,4-dimethyl-6-(N-naphthalen-2-ylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[4,4-dimethyl-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione?

The InChIKey is NLVLQGFQQWIVKG-LIVYLWCZSA-N. The full InChI is InChI=1S/C43H41NO2S.C38H26N2O2S.C36H24N2O2S2.C35H29N5O2S.C34H24N2O2S/c1-41(2,3)26-20-27(42(4,5)6)22-30(21-26)44(28-14-10-9-11-15-28)29-18-19-34-36(23-29)43(7,8)37-25-31(47-40(34)37)24-35-38(45)32-16-12-13-17-33(32)39(35)46;1-38(2)32-20-27(40(25-11-4-3-5-12-25)26-15-14-23-9-6-7-10-24(23)19-26)16-17-29(32)37-33(38)22-28(43-37)21-31-35(41)30-13-8-18-39-34(30)36(31)42;1-36(2)28-18-23(38(22-10-4-3-5-11-22)31-17-21-9-6-7-13-30(21)42-31)14-15-25(28)35-29(36)20-24(41-35)19-27-33(39)26-12-8-16-37-32(26)34(27)40;1-18-11-23(12-19(2)38-18)40(24-13-20(3)39-21(4)14-24)22-7-8-26-28(15-22)35(5,6)29-17-25(43-34(26)29)16-27-32(41)30-31(33(27)42)37-10-9-36-30;1-34(2)28-18-23(36(21-10-5-3-6-11-21)22-12-7-4-8-13-22)15-16-25(28)33-29(34)20-24(39-33)19-27-31(37)26-14-9-17-35-30(26)32(27)38/h9-25H,1-8H3;3-22H,1-2H3;3-20H,1-2H3;7-17H,1-6H3;3-20H,1-2H3/b;31-21+;27-19+;;27-19+.

What are the key properties of (6E)-6-[[6-[N-(1-benzothiophen-2-yl)anilino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;6-[[6-[bis(2,6-dimethyl-4-pyridinyl)amino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[[6-(N-(3,5-ditert-butylphenyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]indene-1,3-dione;(6E)-6-[[4,4-dimethyl-6-(N-naphthalen-2-ylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[4,4-dimethyl-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione?

(6E)-6-[[6-[N-(1-benzothiophen-2-yl)anilino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;6-[[6-[bis(2,6-dimethyl-4-pyridinyl)amino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[[6-(N-(3,5-ditert-butylphenyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]indene-1,3-dione;(6E)-6-[[4,4-dimethyl-6-(N-naphthalen-2-ylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[4,4-dimethyl-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione has a molecular weight of 2899.67 g/mol, XLogP of 46.90, 20 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (6E)-6-[[6-[N-(1-benzothiophen-2-yl)anilino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;6-[[6-[bis(2,6-dimethyl-4-pyridinyl)amino]-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyrazine-5,7-dione;2-[[6-(N-(3,5-ditert-butylphenyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]indene-1,3-dione;(6E)-6-[[4,4-dimethyl-6-(N-naphthalen-2-ylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[4,4-dimethyl-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione is sourced from PubChem (CID 159817791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).