2-[(4-cyclohexyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-cyclopentyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-ethyl-2-(4-methylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-(2-methylhexyl)-2-phenylfuro[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione;2-[[2-phenyl-4-(trifluoromethyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione

C148H110F3N5O15 — CID 159957045

About 2-[(4-cyclohexyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-cyclopentyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-ethyl-2-(4-methylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-(2-methylhexyl)-2-phenylfuro[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione;2-[[2-phenyl-4-(trifluoromethyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione

2-[(4-cyclohexyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-cyclopentyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-ethyl-2-(4-methylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-(2-methylhexyl)-2-phenylfuro[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione;2-[[2-phenyl-4-(trifluoromethyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione (PubChem CID 159957045) has the molecular formula C148H110F3N5O15 and a molecular weight of 2255.52 g/mol. Its IUPAC name is 2-[(4-cyclohexyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-cyclopentyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-ethyl-2-(4-methylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-(2-methylhexyl)-2-phenylfuro[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione;2-[[2-phenyl-4-(trifluoromethyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione.

Molecular Properties

• Compound Name: 2-[(4-cyclohexyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-cyclopentyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-ethyl-2-(4-methylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-(2-methylhexyl)-2-phenylfuro[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione;2-[[2-phenyl-4-(trifluoromethyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
• PubChem CID: 159957045
• Molecular Formula: C148H110F3N5O15
• Molecular Weight: 2255.52 g/mol
• Exact Mass: 2253.80
• IUPAC Name: 2-[(4-cyclohexyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-cyclopentyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-ethyl-2-(4-methylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-(2-methylhexyl)-2-phenylfuro[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione;2-[[2-phenyl-4-(trifluoromethyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione
• SMILES: CCCCC(C)Cn1c(C=C2C(=O)c3ccccc3C2=O)cc2oc(-c3ccccc3)cc21.CCn1c(C=C2C(=O)c3cc4ccccc4cc3C2=O)cc2oc(-c3ccc(C)cc3)cc21.O=C1C(=Cc2cc3oc(-c4ccccc4)cc3n2C(F)(F)F)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2cc3oc(-c4ccccc4)cc3n2C2CCCC2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2cc3oc(-c4ccccc4)cc3n2C2CCCCC2)C(=O)c2cc3ccccc3cc21
• InChI: InChI=1S/C32H25NO3.C31H23NO3.C29H21NO3.C29H27NO3.C27H14F3NO3/c34-31-25-15-21-11-7-8-12-22(21)16-26(25)32(35)27(31)17-24-18-30-28(33(24)23-13-5-2-6-14-23)19-29(36-30)20-9-3-1-4-10-20;33-30-24-14-20-10-4-5-11-21(20)15-25(24)31(34)26(30)16-23-17-29-27(32(23)22-12-6-7-13-22)18-28(35-29)19-8-2-1-3-9-19;1-3-30-21(15-27-25(30)16-26(33-27)18-10-8-17(2)9-11-18)14-24-28(31)22-12-19-6-4-5-7-20(19)13-23(22)29(24)32;1-3-4-10-19(2)18-30-21(15-24-28(31)22-13-8-9-14-23(22)29(24)32)16-27-25(30)17-26(33-27)20-11-6-5-7-12-20;28-27(29,30)31-18(13-24-22(31)14-23(34-24)15-6-2-1-3-7-15)12-21-25(32)19-10-16-8-4-5-9-17(16)11-20(19)26(21)33/h1,3-4,7-12,15-19,23H,2,5-6,13-14H2;1-5,8-11,14-18,22H,6-7,12-13H2;4-16H,3H2,1-2H3;5-9,11-17,19H,3-4,10,18H2,1-2H3;1-14H
• InChIKey: OCVQZDSIFNRHLF-UHFFFAOYSA-N
• XLogP: 36.68
• TPSA: 261.05 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 18
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2255.52
LogP ≤ 5	36.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

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-[(4-cyclohexyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-cyclopentyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-ethyl-2-(4-methylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-(2-methylhexyl)-2-phenylfuro[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione;2-[[2-phenyl-4-(trifluoromethyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?

The IUPAC name of 2-[(4-cyclohexyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-cyclopentyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-ethyl-2-(4-methylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-(2-methylhexyl)-2-phenylfuro[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione;2-[[2-phenyl-4-(trifluoromethyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione (CID 159957045) is 2-[(4-cyclohexyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-cyclopentyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-ethyl-2-(4-methylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-(2-methylhexyl)-2-phenylfuro[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione;2-[[2-phenyl-4-(trifluoromethyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione.

What is the SMILES notation for 2-[(4-cyclohexyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-cyclopentyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-ethyl-2-(4-methylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-(2-methylhexyl)-2-phenylfuro[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione;2-[[2-phenyl-4-(trifluoromethyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?

The canonical SMILES for 2-[(4-cyclohexyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-cyclopentyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-ethyl-2-(4-methylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-(2-methylhexyl)-2-phenylfuro[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione;2-[[2-phenyl-4-(trifluoromethyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione is CCCCC(C)Cn1c(C=C2C(=O)c3ccccc3C2=O)cc2oc(-c3ccccc3)cc21.CCn1c(C=C2C(=O)c3cc4ccccc4cc3C2=O)cc2oc(-c3ccc(C)cc3)cc21.O=C1C(=Cc2cc3oc(-c4ccccc4)cc3n2C(F)(F)F)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2cc3oc(-c4ccccc4)cc3n2C2CCCC2)C(=O)c2cc3ccccc3cc21.O=C1C(=Cc2cc3oc(-c4ccccc4)cc3n2C2CCCCC2)C(=O)c2cc3ccccc3cc21.

What is the InChIKey of 2-[(4-cyclohexyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-cyclopentyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-ethyl-2-(4-methylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-(2-methylhexyl)-2-phenylfuro[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione;2-[[2-phenyl-4-(trifluoromethyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?

The InChIKey is OCVQZDSIFNRHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25NO3.C31H23NO3.C29H21NO3.C29H27NO3.C27H14F3NO3/c34-31-25-15-21-11-7-8-12-22(21)16-26(25)32(35)27(31)17-24-18-30-28(33(24)23-13-5-2-6-14-23)19-29(36-30)20-9-3-1-4-10-20;33-30-24-14-20-10-4-5-11-21(20)15-25(24)31(34)26(30)16-23-17-29-27(32(23)22-12-6-7-13-22)18-28(35-29)19-8-2-1-3-9-19;1-3-30-21(15-27-25(30)16-26(33-27)18-10-8-17(2)9-11-18)14-24-28(31)22-12-19-6-4-5-7-20(19)13-23(22)29(24)32;1-3-4-10-19(2)18-30-21(15-24-28(31)22-13-8-9-14-23(22)29(24)32)16-27-25(30)17-26(33-27)20-11-6-5-7-12-20;28-27(29,30)31-18(13-24-22(31)14-23(34-24)15-6-2-1-3-7-15)12-21-25(32)19-10-16-8-4-5-9-17(16)11-20(19)26(21)33/h1,3-4,7-12,15-19,23H,2,5-6,13-14H2;1-5,8-11,14-18,22H,6-7,12-13H2;4-16H,3H2,1-2H3;5-9,11-17,19H,3-4,10,18H2,1-2H3;1-14H.

What are the key properties of 2-[(4-cyclohexyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-cyclopentyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-ethyl-2-(4-methylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-(2-methylhexyl)-2-phenylfuro[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione;2-[[2-phenyl-4-(trifluoromethyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione?

2-[(4-cyclohexyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-cyclopentyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-ethyl-2-(4-methylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-(2-methylhexyl)-2-phenylfuro[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione;2-[[2-phenyl-4-(trifluoromethyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione has a molecular weight of 2255.52 g/mol, XLogP of 36.68, 18 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-cyclohexyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-cyclopentyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-ethyl-2-(4-methylphenyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-(2-methylhexyl)-2-phenylfuro[3,2-b]pyrrol-5-yl]methylidene]indene-1,3-dione;2-[[2-phenyl-4-(trifluoromethyl)furo[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione is sourced from PubChem (CID 159957045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).