5-[[6'-(N-(2,6-dimethyl-4-pyridinyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]cyclopenta[c]thiophene-4,6-dione;2-[[6-(4-methyl-N-(4-methylphenyl)anilino)spiro[indeno[1,2-b]thiophene-4,9'-indeno[2,1-b]pyridine]-2-yl]methylidene]indene-1,3-dione;2-[[6'-(N-(6-methyl-3-pyridinyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]indene-1,3-dione;2-[[6'-(N-naphthalen-2-ylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]indene-1,3-dione;5-[[6'-(N-phenylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]cyclopenta[c]thiophene-4,6-dione

C227H140N8O10S7 — CID 161497305

About 5-[[6'-(N-(2,6-dimethyl-4-pyridinyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]cyclopenta[c]thiophene-4,6-dione;2-[[6-(4-methyl-N-(4-methylphenyl)anilino)spiro[indeno[1,2-b]thiophene-4,9'-indeno[2,1-b]pyridine]-2-yl]methylidene]indene-1,3-dione;2-[[6'-(N-(6-methyl-3-pyridinyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]indene-1,3-dione;2-[[6'-(N-naphthalen-2-ylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]indene-1,3-dione;5-[[6'-(N-phenylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]cyclopenta[c]thiophene-4,6-dione

5-[[6'-(N-(2,6-dimethyl-4-pyridinyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]cyclopenta[c]thiophene-4,6-dione;2-[[6-(4-methyl-N-(4-methylphenyl)anilino)spiro[indeno[1,2-b]thiophene-4,9'-indeno[2,1-b]pyridine]-2-yl]methylidene]indene-1,3-dione;2-[[6'-(N-(6-methyl-3-pyridinyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]indene-1,3-dione;2-[[6'-(N-naphthalen-2-ylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]indene-1,3-dione;5-[[6'-(N-phenylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]cyclopenta[c]thiophene-4,6-dione (PubChem CID 161497305) has the molecular formula C227H140N8O10S7 and a molecular weight of 3364.13 g/mol. Its IUPAC name is 5-[[6'-(N-(2,6-dimethyl-4-pyridinyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]cyclopenta[c]thiophene-4,6-dione;2-[[6-(4-methyl-N-(4-methylphenyl)anilino)spiro[indeno[1,2-b]thiophene-4,9'-indeno[2,1-b]pyridine]-2-yl]methylidene]indene-1,3-dione;2-[[6'-(N-(6-methyl-3-pyridinyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]indene-1,3-dione;2-[[6'-(N-naphthalen-2-ylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]indene-1,3-dione;5-[[6'-(N-phenylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]cyclopenta[c]thiophene-4,6-dione.

Molecular Properties

• Compound Name: 5-[[6'-(N-(2,6-dimethyl-4-pyridinyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]cyclopenta[c]thiophene-4,6-dione;2-[[6-(4-methyl-N-(4-methylphenyl)anilino)spiro[indeno[1,2-b]thiophene-4,9'-indeno[2,1-b]pyridine]-2-yl]methylidene]indene-1,3-dione;2-[[6'-(N-(6-methyl-3-pyridinyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]indene-1,3-dione;2-[[6'-(N-naphthalen-2-ylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]indene-1,3-dione;5-[[6'-(N-phenylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]cyclopenta[c]thiophene-4,6-dione
• PubChem CID: 161497305
• Molecular Formula: C227H140N8O10S7
• Molecular Weight: 3364.13 g/mol
• Exact Mass: 3360.87
• IUPAC Name: 5-[[6'-(N-(2,6-dimethyl-4-pyridinyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]cyclopenta[c]thiophene-4,6-dione;2-[[6-(4-methyl-N-(4-methylphenyl)anilino)spiro[indeno[1,2-b]thiophene-4,9'-indeno[2,1-b]pyridine]-2-yl]methylidene]indene-1,3-dione;2-[[6'-(N-(6-methyl-3-pyridinyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]indene-1,3-dione;2-[[6'-(N-naphthalen-2-ylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]indene-1,3-dione;5-[[6'-(N-phenylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]cyclopenta[c]thiophene-4,6-dione
• SMILES: Cc1cc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(C=C4C(=O)c5cscc5C4=O)sc2-3)cc(C)n1.Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C2(c4ccccc4-c4cccnc42)c2cc(C=C4C(=O)c5ccccc5C4=O)sc2-3)cc1.Cc1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(C=C4C(=O)c5ccccc5C4=O)sc2-3)cn1.O=C1C(=Cc2cc3c(s2)-c2ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc2C32c3ccccc3-c3ccccc32)C(=O)c2ccccc21.O=C1C(=Cc2cc3c(s2)-c2ccc(N(c4ccccc4)c4ccccc4)cc2C32c3ccccc3-c3ccccc32)C(=O)c2cscc21
• InChI: InChI=1S/C49H29NO2S.C46H30N2O2S.C45H28N2O2S.C44H28N2O2S2.C43H25NO2S2/c51-46-38-18-6-7-19-39(38)47(52)41(46)28-35-29-45-48(53-35)40-25-24-34(27-44(40)49(45)42-20-10-8-16-36(42)37-17-9-11-21-43(37)49)50(32-14-2-1-3-15-32)33-23-22-30-12-4-5-13-31(30)26-33;1-27-13-17-29(18-14-27)48(30-19-15-28(2)16-20-30)31-21-22-37-40(24-31)46(39-12-6-5-8-33(39)36-11-7-23-47-45(36)46)41-26-32(51-44(37)41)25-38-42(49)34-9-3-4-10-35(34)43(38)50;1-27-19-20-30(26-46-27)47(28-11-3-2-4-12-28)29-21-22-36-40(23-29)45(38-17-9-7-13-32(38)33-14-8-10-18-39(33)45)41-25-31(50-44(36)41)24-37-42(48)34-15-5-6-16-35(34)43(37)49;1-25-18-29(19-26(2)45-25)46(27-10-4-3-5-11-27)28-16-17-33-39(20-28)44(37-14-8-6-12-31(37)32-13-7-9-15-38(32)44)40-22-30(50-43(33)40)21-34-41(47)35-23-49-24-36(35)42(34)48;45-40-33(41(46)35-25-47-24-34(35)40)22-29-23-39-42(48-29)32-20-19-28(44(26-11-3-1-4-12-26)27-13-5-2-6-14-27)21-38(32)43(39)36-17-9-7-15-30(36)31-16-8-10-18-37(31)43/h1-29H;3-26H,1-2H3;2-26H,1H3;3-24H,1-2H3;1-25H
• InChIKey: WGJKLYCTNYTKHG-UHFFFAOYSA-N
• XLogP: 56.12
• TPSA: 225.57 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 252
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3364.13
LogP ≤ 5	56.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

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 5-[[6'-(N-(2,6-dimethyl-4-pyridinyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]cyclopenta[c]thiophene-4,6-dione;2-[[6-(4-methyl-N-(4-methylphenyl)anilino)spiro[indeno[1,2-b]thiophene-4,9'-indeno[2,1-b]pyridine]-2-yl]methylidene]indene-1,3-dione;2-[[6'-(N-(6-methyl-3-pyridinyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]indene-1,3-dione;2-[[6'-(N-naphthalen-2-ylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]indene-1,3-dione;5-[[6'-(N-phenylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]cyclopenta[c]thiophene-4,6-dione?

The IUPAC name of 5-[[6'-(N-(2,6-dimethyl-4-pyridinyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]cyclopenta[c]thiophene-4,6-dione;2-[[6-(4-methyl-N-(4-methylphenyl)anilino)spiro[indeno[1,2-b]thiophene-4,9'-indeno[2,1-b]pyridine]-2-yl]methylidene]indene-1,3-dione;2-[[6'-(N-(6-methyl-3-pyridinyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]indene-1,3-dione;2-[[6'-(N-naphthalen-2-ylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]indene-1,3-dione;5-[[6'-(N-phenylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]cyclopenta[c]thiophene-4,6-dione (CID 161497305) is 5-[[6'-(N-(2,6-dimethyl-4-pyridinyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]cyclopenta[c]thiophene-4,6-dione;2-[[6-(4-methyl-N-(4-methylphenyl)anilino)spiro[indeno[1,2-b]thiophene-4,9'-indeno[2,1-b]pyridine]-2-yl]methylidene]indene-1,3-dione;2-[[6'-(N-(6-methyl-3-pyridinyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]indene-1,3-dione;2-[[6'-(N-naphthalen-2-ylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]indene-1,3-dione;5-[[6'-(N-phenylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]cyclopenta[c]thiophene-4,6-dione.

What is the SMILES notation for 5-[[6'-(N-(2,6-dimethyl-4-pyridinyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]cyclopenta[c]thiophene-4,6-dione;2-[[6-(4-methyl-N-(4-methylphenyl)anilino)spiro[indeno[1,2-b]thiophene-4,9'-indeno[2,1-b]pyridine]-2-yl]methylidene]indene-1,3-dione;2-[[6'-(N-(6-methyl-3-pyridinyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]indene-1,3-dione;2-[[6'-(N-naphthalen-2-ylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]indene-1,3-dione;5-[[6'-(N-phenylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]cyclopenta[c]thiophene-4,6-dione?

The canonical SMILES for 5-[[6'-(N-(2,6-dimethyl-4-pyridinyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]cyclopenta[c]thiophene-4,6-dione;2-[[6-(4-methyl-N-(4-methylphenyl)anilino)spiro[indeno[1,2-b]thiophene-4,9'-indeno[2,1-b]pyridine]-2-yl]methylidene]indene-1,3-dione;2-[[6'-(N-(6-methyl-3-pyridinyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]indene-1,3-dione;2-[[6'-(N-naphthalen-2-ylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]indene-1,3-dione;5-[[6'-(N-phenylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]cyclopenta[c]thiophene-4,6-dione is Cc1cc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(C=C4C(=O)c5cscc5C4=O)sc2-3)cc(C)n1.Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)C2(c4ccccc4-c4cccnc42)c2cc(C=C4C(=O)c5ccccc5C4=O)sc2-3)cc1.Cc1ccc(N(c2ccccc2)c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(C=C4C(=O)c5ccccc5C4=O)sc2-3)cn1.O=C1C(=Cc2cc3c(s2)-c2ccc(N(c4ccccc4)c4ccc5ccccc5c4)cc2C32c3ccccc3-c3ccccc32)C(=O)c2ccccc21.O=C1C(=Cc2cc3c(s2)-c2ccc(N(c4ccccc4)c4ccccc4)cc2C32c3ccccc3-c3ccccc32)C(=O)c2cscc21.

What is the InChIKey of 5-[[6'-(N-(2,6-dimethyl-4-pyridinyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]cyclopenta[c]thiophene-4,6-dione;2-[[6-(4-methyl-N-(4-methylphenyl)anilino)spiro[indeno[1,2-b]thiophene-4,9'-indeno[2,1-b]pyridine]-2-yl]methylidene]indene-1,3-dione;2-[[6'-(N-(6-methyl-3-pyridinyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]indene-1,3-dione;2-[[6'-(N-naphthalen-2-ylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]indene-1,3-dione;5-[[6'-(N-phenylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]cyclopenta[c]thiophene-4,6-dione?

The InChIKey is WGJKLYCTNYTKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H29NO2S.C46H30N2O2S.C45H28N2O2S.C44H28N2O2S2.C43H25NO2S2/c51-46-38-18-6-7-19-39(38)47(52)41(46)28-35-29-45-48(53-35)40-25-24-34(27-44(40)49(45)42-20-10-8-16-36(42)37-17-9-11-21-43(37)49)50(32-14-2-1-3-15-32)33-23-22-30-12-4-5-13-31(30)26-33;1-27-13-17-29(18-14-27)48(30-19-15-28(2)16-20-30)31-21-22-37-40(24-31)46(39-12-6-5-8-33(39)36-11-7-23-47-45(36)46)41-26-32(51-44(37)41)25-38-42(49)34-9-3-4-10-35(34)43(38)50;1-27-19-20-30(26-46-27)47(28-11-3-2-4-12-28)29-21-22-36-40(23-29)45(38-17-9-7-13-32(38)33-14-8-10-18-39(33)45)41-25-31(50-44(36)41)24-37-42(48)34-15-5-6-16-35(34)43(37)49;1-25-18-29(19-26(2)45-25)46(27-10-4-3-5-11-27)28-16-17-33-39(20-28)44(37-14-8-6-12-31(37)32-13-7-9-15-38(32)44)40-22-30(50-43(33)40)21-34-41(47)35-23-49-24-36(35)42(34)48;45-40-33(41(46)35-25-47-24-34(35)40)22-29-23-39-42(48-29)32-20-19-28(44(26-11-3-1-4-12-26)27-13-5-2-6-14-27)21-38(32)43(39)36-17-9-7-15-30(36)31-16-8-10-18-37(31)43/h1-29H;3-26H,1-2H3;2-26H,1H3;3-24H,1-2H3;1-25H.

What are the key properties of 5-[[6'-(N-(2,6-dimethyl-4-pyridinyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]cyclopenta[c]thiophene-4,6-dione;2-[[6-(4-methyl-N-(4-methylphenyl)anilino)spiro[indeno[1,2-b]thiophene-4,9'-indeno[2,1-b]pyridine]-2-yl]methylidene]indene-1,3-dione;2-[[6'-(N-(6-methyl-3-pyridinyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]indene-1,3-dione;2-[[6'-(N-naphthalen-2-ylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]indene-1,3-dione;5-[[6'-(N-phenylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]cyclopenta[c]thiophene-4,6-dione?

5-[[6'-(N-(2,6-dimethyl-4-pyridinyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]cyclopenta[c]thiophene-4,6-dione;2-[[6-(4-methyl-N-(4-methylphenyl)anilino)spiro[indeno[1,2-b]thiophene-4,9'-indeno[2,1-b]pyridine]-2-yl]methylidene]indene-1,3-dione;2-[[6'-(N-(6-methyl-3-pyridinyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]indene-1,3-dione;2-[[6'-(N-naphthalen-2-ylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]indene-1,3-dione;5-[[6'-(N-phenylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]cyclopenta[c]thiophene-4,6-dione has a molecular weight of 3364.13 g/mol, XLogP of 56.12, 20 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[6'-(N-(2,6-dimethyl-4-pyridinyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]cyclopenta[c]thiophene-4,6-dione;2-[[6-(4-methyl-N-(4-methylphenyl)anilino)spiro[indeno[1,2-b]thiophene-4,9'-indeno[2,1-b]pyridine]-2-yl]methylidene]indene-1,3-dione;2-[[6'-(N-(6-methyl-3-pyridinyl)anilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]indene-1,3-dione;2-[[6'-(N-naphthalen-2-ylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]indene-1,3-dione;5-[[6'-(N-phenylanilino)spiro[fluorene-9,4'-indeno[1,2-b]thiophene]-2'-yl]methylidene]cyclopenta[c]thiophene-4,6-dione is sourced from PubChem (CID 161497305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).