2-[[4-benzoyl-2-(4-cyclohexylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(2Z)-5-tert-butyl-2-[[4-(2,2-dimethylpropanoyl)-2-(4-methylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione;2-[(2-carbazol-9-yl-4-ethylfuro[3,2-b]pyrrol-5-yl)methylidene]indene-1,3-dione;2-[[2-(3,6-ditert-butylcarbazol-9-yl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2-(4-phenylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione

C181H140F9N7O14S3 — CID 160952676

About 2-[[4-benzoyl-2-(4-cyclohexylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(2Z)-5-tert-butyl-2-[[4-(2,2-dimethylpropanoyl)-2-(4-methylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione;2-[(2-carbazol-9-yl-4-ethylfuro[3,2-b]pyrrol-5-yl)methylidene]indene-1,3-dione;2-[[2-(3,6-ditert-butylcarbazol-9-yl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2-(4-phenylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione

2-[[4-benzoyl-2-(4-cyclohexylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(2Z)-5-tert-butyl-2-[[4-(2,2-dimethylpropanoyl)-2-(4-methylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione;2-[(2-carbazol-9-yl-4-ethylfuro[3,2-b]pyrrol-5-yl)methylidene]indene-1,3-dione;2-[[2-(3,6-ditert-butylcarbazol-9-yl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2-(4-phenylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione (PubChem CID 160952676) has the molecular formula C181H140F9N7O14S3 and a molecular weight of 2904.33 g/mol. Its IUPAC name is 2-[[4-benzoyl-2-(4-cyclohexylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(2Z)-5-tert-butyl-2-[[4-(2,2-dimethylpropanoyl)-2-(4-methylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione;2-[(2-carbazol-9-yl-4-ethylfuro[3,2-b]pyrrol-5-yl)methylidene]indene-1,3-dione;2-[[2-(3,6-ditert-butylcarbazol-9-yl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2-(4-phenylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione.

Molecular Properties

• Compound Name: 2-[[4-benzoyl-2-(4-cyclohexylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(2Z)-5-tert-butyl-2-[[4-(2,2-dimethylpropanoyl)-2-(4-methylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione;2-[(2-carbazol-9-yl-4-ethylfuro[3,2-b]pyrrol-5-yl)methylidene]indene-1,3-dione;2-[[2-(3,6-ditert-butylcarbazol-9-yl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2-(4-phenylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
• PubChem CID: 160952676
• Molecular Formula: C181H140F9N7O14S3
• Molecular Weight: 2904.33 g/mol
• Exact Mass: 2901.95
• IUPAC Name: 2-[[4-benzoyl-2-(4-cyclohexylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(2Z)-5-tert-butyl-2-[[4-(2,2-dimethylpropanoyl)-2-(4-methylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione;2-[(2-carbazol-9-yl-4-ethylfuro[3,2-b]pyrrol-5-yl)methylidene]indene-1,3-dione;2-[[2-(3,6-ditert-butylcarbazol-9-yl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2-(4-phenylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
• SMILES: CCn1c(C=C2C(=O)c3cc4ccccc4cc3C2=O)cc2oc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc21.CCn1c(C=C2C(=O)c3ccccc3C2=O)cc2oc(-n3c4ccccc4c4ccccc43)cc21.Cc1ccc(-c2cc3c(cc(/C=C4/C(=O)c5ccc(C(C)(C)C)cc5C4=O)n3C(=O)C(C)(C)C)s2)cc1.O=C1C(=Cc2cc3sc(-c4ccc(-c5ccccc5)cc4)cc3n2CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2cc3sc(-c4ccc(C5CCCCC5)cc4)cc3n2C(=O)c2ccccc2)C(=O)c2cc3ccccc3cc21
• InChI: InChI=1S/C42H38N2O3.C39H29NO3S.C38H22F9NO2S.C32H31NO3S.C30H20N2O3/c1-8-43-28(21-33-39(45)31-17-24-11-9-10-12-25(24)18-32(31)40(33)46)22-37-36(43)23-38(47-37)44-34-15-13-26(41(2,3)4)19-29(34)30-20-27(42(5,6)7)14-16-35(30)44;41-37-31-19-28-13-7-8-14-29(28)20-32(31)38(42)33(37)21-30-22-36-34(40(30)39(43)27-11-5-2-6-12-27)23-35(44-36)26-17-15-25(16-18-26)24-9-3-1-4-10-24;39-35(40,36(41,42)37(43,44)38(45,46)47)14-15-48-26(18-29-33(49)27-16-24-8-4-5-9-25(24)17-28(27)34(29)50)19-32-30(48)20-31(51-32)23-12-10-22(11-13-23)21-6-2-1-3-7-21;1-18-8-10-19(11-9-18)26-17-25-27(37-26)16-21(33(25)30(36)32(5,6)7)15-24-28(34)22-13-12-20(31(2,3)4)14-23(22)29(24)35;1-2-31-18(15-23-29(33)21-11-3-4-12-22(21)30(23)34)16-27-26(31)17-28(35-27)32-24-13-7-5-9-19(24)20-10-6-8-14-25(20)32/h9-23H,8H2,1-7H3;2,5-8,11-24H,1,3-4,9-10H2;1-13,16-20H,14-15H2;8-17H,1-7H3;3-17H,2H2,1H3/b;;;24-15-
• InChIKey: SVYWGMLBPLVODU-WHRKLDMJSA-N
• XLogP: 46.73
• TPSA: 265.63 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 20
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2904.33
LogP ≤ 5	46.73
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[4-benzoyl-2-(4-cyclohexylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(2Z)-5-tert-butyl-2-[[4-(2,2-dimethylpropanoyl)-2-(4-methylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione;2-[(2-carbazol-9-yl-4-ethylfuro[3,2-b]pyrrol-5-yl)methylidene]indene-1,3-dione;2-[[2-(3,6-ditert-butylcarbazol-9-yl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2-(4-phenylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?

The IUPAC name of 2-[[4-benzoyl-2-(4-cyclohexylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(2Z)-5-tert-butyl-2-[[4-(2,2-dimethylpropanoyl)-2-(4-methylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione;2-[(2-carbazol-9-yl-4-ethylfuro[3,2-b]pyrrol-5-yl)methylidene]indene-1,3-dione;2-[[2-(3,6-ditert-butylcarbazol-9-yl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2-(4-phenylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione (CID 160952676) is 2-[[4-benzoyl-2-(4-cyclohexylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(2Z)-5-tert-butyl-2-[[4-(2,2-dimethylpropanoyl)-2-(4-methylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione;2-[(2-carbazol-9-yl-4-ethylfuro[3,2-b]pyrrol-5-yl)methylidene]indene-1,3-dione;2-[[2-(3,6-ditert-butylcarbazol-9-yl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2-(4-phenylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione.

What is the SMILES notation for 2-[[4-benzoyl-2-(4-cyclohexylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(2Z)-5-tert-butyl-2-[[4-(2,2-dimethylpropanoyl)-2-(4-methylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione;2-[(2-carbazol-9-yl-4-ethylfuro[3,2-b]pyrrol-5-yl)methylidene]indene-1,3-dione;2-[[2-(3,6-ditert-butylcarbazol-9-yl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2-(4-phenylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?

The canonical SMILES for 2-[[4-benzoyl-2-(4-cyclohexylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(2Z)-5-tert-butyl-2-[[4-(2,2-dimethylpropanoyl)-2-(4-methylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione;2-[(2-carbazol-9-yl-4-ethylfuro[3,2-b]pyrrol-5-yl)methylidene]indene-1,3-dione;2-[[2-(3,6-ditert-butylcarbazol-9-yl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2-(4-phenylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione is CCn1c(C=C2C(=O)c3cc4ccccc4cc3C2=O)cc2oc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc21.CCn1c(C=C2C(=O)c3ccccc3C2=O)cc2oc(-n3c4ccccc4c4ccccc43)cc21.Cc1ccc(-c2cc3c(cc(/C=C4/C(=O)c5ccc(C(C)(C)C)cc5C4=O)n3C(=O)C(C)(C)C)s2)cc1.O=C1C(=Cc2cc3sc(-c4ccc(-c5ccccc5)cc4)cc3n2CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2cc3sc(-c4ccc(C5CCCCC5)cc4)cc3n2C(=O)c2ccccc2)C(=O)c2cc3ccccc3cc21.

What is the InChIKey of 2-[[4-benzoyl-2-(4-cyclohexylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(2Z)-5-tert-butyl-2-[[4-(2,2-dimethylpropanoyl)-2-(4-methylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione;2-[(2-carbazol-9-yl-4-ethylfuro[3,2-b]pyrrol-5-yl)methylidene]indene-1,3-dione;2-[[2-(3,6-ditert-butylcarbazol-9-yl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2-(4-phenylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?

The InChIKey is SVYWGMLBPLVODU-WHRKLDMJSA-N. The full InChI is InChI=1S/C42H38N2O3.C39H29NO3S.C38H22F9NO2S.C32H31NO3S.C30H20N2O3/c1-8-43-28(21-33-39(45)31-17-24-11-9-10-12-25(24)18-32(31)40(33)46)22-37-36(43)23-38(47-37)44-34-15-13-26(41(2,3)4)19-29(34)30-20-27(42(5,6)7)14-16-35(30)44;41-37-31-19-28-13-7-8-14-29(28)20-32(31)38(42)33(37)21-30-22-36-34(40(30)39(43)27-11-5-2-6-12-27)23-35(44-36)26-17-15-25(16-18-26)24-9-3-1-4-10-24;39-35(40,36(41,42)37(43,44)38(45,46)47)14-15-48-26(18-29-33(49)27-16-24-8-4-5-9-25(24)17-28(27)34(29)50)19-32-30(48)20-31(51-32)23-12-10-22(11-13-23)21-6-2-1-3-7-21;1-18-8-10-19(11-9-18)26-17-25-27(37-26)16-21(33(25)30(36)32(5,6)7)15-24-28(34)22-13-12-20(31(2,3)4)14-23(22)29(24)35;1-2-31-18(15-23-29(33)21-11-3-4-12-22(21)30(23)34)16-27-26(31)17-28(35-27)32-24-13-7-5-9-19(24)20-10-6-8-14-25(20)32/h9-23H,8H2,1-7H3;2,5-8,11-24H,1,3-4,9-10H2;1-13,16-20H,14-15H2;8-17H,1-7H3;3-17H,2H2,1H3/b;;;24-15-;.

What are the key properties of 2-[[4-benzoyl-2-(4-cyclohexylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(2Z)-5-tert-butyl-2-[[4-(2,2-dimethylpropanoyl)-2-(4-methylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione;2-[(2-carbazol-9-yl-4-ethylfuro[3,2-b]pyrrol-5-yl)methylidene]indene-1,3-dione;2-[[2-(3,6-ditert-butylcarbazol-9-yl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2-(4-phenylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?

2-[[4-benzoyl-2-(4-cyclohexylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(2Z)-5-tert-butyl-2-[[4-(2,2-dimethylpropanoyl)-2-(4-methylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione;2-[(2-carbazol-9-yl-4-ethylfuro[3,2-b]pyrrol-5-yl)methylidene]indene-1,3-dione;2-[[2-(3,6-ditert-butylcarbazol-9-yl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2-(4-phenylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione has a molecular weight of 2904.33 g/mol, XLogP of 46.73, 20 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-benzoyl-2-(4-cyclohexylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;(2Z)-5-tert-butyl-2-[[4-(2,2-dimethylpropanoyl)-2-(4-methylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione;2-[(2-carbazol-9-yl-4-ethylfuro[3,2-b]pyrrol-5-yl)methylidene]indene-1,3-dione;2-[[2-(3,6-ditert-butylcarbazol-9-yl)-4-ethylfuro[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-2-(4-phenylphenyl)thieno[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione is sourced from PubChem (CID 160952676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).