(6E)-6-[[6-(N-(6-tert-butyl-3-pyridinyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[6-(N-(6-tert-butyl-3-pyridinyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;(6E)-6-[[4,4-difluoro-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[6-(N-(3,5-dimethylphenyl)anilino)-4,4-dimethylindeno[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[c]pyridine-5,7-dione

C176H132F2N12O10S5 — CID 157408781

About (6E)-6-[[6-(N-(6-tert-butyl-3-pyridinyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[6-(N-(6-tert-butyl-3-pyridinyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;(6E)-6-[[4,4-difluoro-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[6-(N-(3,5-dimethylphenyl)anilino)-4,4-dimethylindeno[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[c]pyridine-5,7-dione

(6E)-6-[[6-(N-(6-tert-butyl-3-pyridinyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[6-(N-(6-tert-butyl-3-pyridinyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;(6E)-6-[[4,4-difluoro-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[6-(N-(3,5-dimethylphenyl)anilino)-4,4-dimethylindeno[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[c]pyridine-5,7-dione (PubChem CID 157408781) has the molecular formula C176H132F2N12O10S5 and a molecular weight of 2773.40 g/mol. Its IUPAC name is (6E)-6-[[6-(N-(6-tert-butyl-3-pyridinyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[6-(N-(6-tert-butyl-3-pyridinyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;(6E)-6-[[4,4-difluoro-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[6-(N-(3,5-dimethylphenyl)anilino)-4,4-dimethylindeno[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[c]pyridine-5,7-dione.

Molecular Properties

• Compound Name: (6E)-6-[[6-(N-(6-tert-butyl-3-pyridinyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[6-(N-(6-tert-butyl-3-pyridinyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;(6E)-6-[[4,4-difluoro-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[6-(N-(3,5-dimethylphenyl)anilino)-4,4-dimethylindeno[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[c]pyridine-5,7-dione
• PubChem CID: 157408781
• Molecular Formula: C176H132F2N12O10S5
• Molecular Weight: 2773.40 g/mol
• Exact Mass: 2770.88
• IUPAC Name: (6E)-6-[[6-(N-(6-tert-butyl-3-pyridinyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[6-(N-(6-tert-butyl-3-pyridinyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;(6E)-6-[[4,4-difluoro-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[6-(N-(3,5-dimethylphenyl)anilino)-4,4-dimethylindeno[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[c]pyridine-5,7-dione
• SMILES: CC(C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2cc(/C=C4\C(=O)c5cccnc5C4=O)sc2-3)cn1.CC(C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2cc(/C=C4\C(=O)c5ccncc5C4=O)sc2-3)cn1.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2sc(/C=C3\C(=O)c4ccncc4C3=O)cc21.Cc1cc(C)cc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2cc(/C=C4\C(=O)c5cccnc5C4=O)sc2-3)c1.O=C1/C(=C\c2cc3c(s2)-c2ccc(N(c4ccccc4)c4ccccc4)cc2C3(F)F)C(=O)c2ncccc21
• InChI: InChI=1S/2C37H31N3O2S.C36H28N2O2S.C34H24N2O2S.C32H18F2N2O2S/c1-36(2,3)31-16-14-24(21-39-31)40(22-10-7-6-8-11-22)23-13-15-26-29(18-23)37(4,5)30-20-25(43-35(26)30)19-28-33(41)27-12-9-17-38-32(27)34(28)42;1-36(2,3)32-14-12-24(20-39-32)40(22-9-7-6-8-10-22)23-11-13-27-30(17-23)37(4,5)31-19-25(43-35(27)31)18-28-33(41)26-15-16-38-21-29(26)34(28)42;1-21-15-22(2)17-25(16-21)38(23-9-6-5-7-10-23)24-12-13-27-30(18-24)36(3,4)31-20-26(41-35(27)31)19-29-33(39)28-11-8-14-37-32(28)34(29)40;1-34(2)29-17-23(36(21-9-5-3-6-10-21)22-11-7-4-8-12-22)13-14-26(29)33-30(34)19-24(39-33)18-27-31(37)25-15-16-35-20-28(25)32(27)38;33-32(34)26-16-21(36(19-8-3-1-4-9-19)20-10-5-2-6-11-20)13-14-23(26)31-27(32)18-22(39-31)17-25-29(37)24-12-7-15-35-28(24)30(25)38/h2*6-21H,1-5H3;5-20H,1-4H3;3-20H,1-2H3;1-18H/b28-19+;28-18+;29-19+;27-18+;25-17+
• InChIKey: BOAORHURARAVQD-UYIWNDAFSA-N
• XLogP: 43.73
• TPSA: 277.13 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 20
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2773.40
LogP ≤ 5	43.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'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-(6-tert-butyl-3-pyridinyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[6-(N-(6-tert-butyl-3-pyridinyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;(6E)-6-[[4,4-difluoro-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[6-(N-(3,5-dimethylphenyl)anilino)-4,4-dimethylindeno[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[c]pyridine-5,7-dione?

The IUPAC name of (6E)-6-[[6-(N-(6-tert-butyl-3-pyridinyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[6-(N-(6-tert-butyl-3-pyridinyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;(6E)-6-[[4,4-difluoro-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[6-(N-(3,5-dimethylphenyl)anilino)-4,4-dimethylindeno[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[c]pyridine-5,7-dione (CID 157408781) is (6E)-6-[[6-(N-(6-tert-butyl-3-pyridinyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[6-(N-(6-tert-butyl-3-pyridinyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;(6E)-6-[[4,4-difluoro-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[6-(N-(3,5-dimethylphenyl)anilino)-4,4-dimethylindeno[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[c]pyridine-5,7-dione.

What is the SMILES notation for (6E)-6-[[6-(N-(6-tert-butyl-3-pyridinyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[6-(N-(6-tert-butyl-3-pyridinyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;(6E)-6-[[4,4-difluoro-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[6-(N-(3,5-dimethylphenyl)anilino)-4,4-dimethylindeno[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[c]pyridine-5,7-dione?

The canonical SMILES for (6E)-6-[[6-(N-(6-tert-butyl-3-pyridinyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[6-(N-(6-tert-butyl-3-pyridinyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;(6E)-6-[[4,4-difluoro-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[6-(N-(3,5-dimethylphenyl)anilino)-4,4-dimethylindeno[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[c]pyridine-5,7-dione is CC(C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2cc(/C=C4\C(=O)c5cccnc5C4=O)sc2-3)cn1.CC(C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2cc(/C=C4\C(=O)c5ccncc5C4=O)sc2-3)cn1.CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2sc(/C=C3\C(=O)c4ccncc4C3=O)cc21.Cc1cc(C)cc(N(c2ccccc2)c2ccc3c(c2)C(C)(C)c2cc(/C=C4\C(=O)c5cccnc5C4=O)sc2-3)c1.O=C1/C(=C\c2cc3c(s2)-c2ccc(N(c4ccccc4)c4ccccc4)cc2C3(F)F)C(=O)c2ncccc21.

What is the InChIKey of (6E)-6-[[6-(N-(6-tert-butyl-3-pyridinyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[6-(N-(6-tert-butyl-3-pyridinyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;(6E)-6-[[4,4-difluoro-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[6-(N-(3,5-dimethylphenyl)anilino)-4,4-dimethylindeno[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[c]pyridine-5,7-dione?

The InChIKey is BOAORHURARAVQD-UYIWNDAFSA-N. The full InChI is InChI=1S/2C37H31N3O2S.C36H28N2O2S.C34H24N2O2S.C32H18F2N2O2S/c1-36(2,3)31-16-14-24(21-39-31)40(22-10-7-6-8-11-22)23-13-15-26-29(18-23)37(4,5)30-20-25(43-35(26)30)19-28-33(41)27-12-9-17-38-32(27)34(28)42;1-36(2,3)32-14-12-24(20-39-32)40(22-9-7-6-8-10-22)23-11-13-27-30(17-23)37(4,5)31-19-25(43-35(27)31)18-28-33(41)26-15-16-38-21-29(26)34(28)42;1-21-15-22(2)17-25(16-21)38(23-9-6-5-7-10-23)24-12-13-27-30(18-24)36(3,4)31-20-26(41-35(27)31)19-29-33(39)28-11-8-14-37-32(28)34(29)40;1-34(2)29-17-23(36(21-9-5-3-6-10-21)22-11-7-4-8-12-22)13-14-26(29)33-30(34)19-24(39-33)18-27-31(37)25-15-16-35-20-28(25)32(27)38;33-32(34)26-16-21(36(19-8-3-1-4-9-19)20-10-5-2-6-11-20)13-14-23(26)31-27(32)18-22(39-31)17-25-29(37)24-12-7-15-35-28(24)30(25)38/h2*6-21H,1-5H3;5-20H,1-4H3;3-20H,1-2H3;1-18H/b28-19+;28-18+;29-19+;27-18+;25-17+.

What are the key properties of (6E)-6-[[6-(N-(6-tert-butyl-3-pyridinyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[6-(N-(6-tert-butyl-3-pyridinyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;(6E)-6-[[4,4-difluoro-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[6-(N-(3,5-dimethylphenyl)anilino)-4,4-dimethylindeno[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[c]pyridine-5,7-dione?

(6E)-6-[[6-(N-(6-tert-butyl-3-pyridinyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[6-(N-(6-tert-butyl-3-pyridinyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;(6E)-6-[[4,4-difluoro-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[6-(N-(3,5-dimethylphenyl)anilino)-4,4-dimethylindeno[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[c]pyridine-5,7-dione has a molecular weight of 2773.40 g/mol, XLogP of 43.73, 20 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (6E)-6-[[6-(N-(6-tert-butyl-3-pyridinyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[6-(N-(6-tert-butyl-3-pyridinyl)anilino)-4,4-dimethylindeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[c]pyridine-5,7-dione;(6E)-6-[[4,4-difluoro-6-(N-phenylanilino)indeno[1,2-b]thiophen-2-yl]methylidene]cyclopenta[b]pyridine-5,7-dione;(6E)-6-[[6-(N-(3,5-dimethylphenyl)anilino)-4,4-dimethylindeno[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[c]pyridine-5,7-dione is sourced from PubChem (CID 157408781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).