2-[(4-tert-butyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-ethyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-methyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-(2-methylpropyl)-2-phenylfuro[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2-phenyl-4-propan-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione

C144H103N5O15 — CID 158108484

About 2-[(4-tert-butyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-ethyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-methyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-(2-methylpropyl)-2-phenylfuro[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2-phenyl-4-propan-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione

2-[(4-tert-butyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-ethyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-methyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-(2-methylpropyl)-2-phenylfuro[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2-phenyl-4-propan-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione (PubChem CID 158108484) has the molecular formula C144H103N5O15 and a molecular weight of 2143.43 g/mol. Its IUPAC name is 2-[(4-tert-butyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-ethyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-methyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-(2-methylpropyl)-2-phenylfuro[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2-phenyl-4-propan-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione.

Molecular Properties

• Compound Name: 2-[(4-tert-butyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-ethyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-methyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-(2-methylpropyl)-2-phenylfuro[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2-phenyl-4-propan-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
• PubChem CID: 158108484
• Molecular Formula: C144H103N5O15
• Molecular Weight: 2143.43 g/mol
• Exact Mass: 2141.75
• IUPAC Name: 2-[(4-tert-butyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-ethyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-methyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-(2-methylpropyl)-2-phenylfuro[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2-phenyl-4-propan-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione
• SMILES: CC(C)(C)n1c(C=C2C(=O)c3cc4ccccc4cc3C2=O)cc2oc(-c3ccccc3)cc21.CC(C)Cn1c(C=C2C(=O)c3cc4ccccc4cc3C2=O)cc2oc(-c3ccccc3)cc21.CC(C)n1c(C=C2C(=O)c3cc4ccccc4cc3C2=O)cc2oc(-c3ccccc3)cc21.CCn1c(C=C2C(=O)c3cc4ccccc4cc3C2=O)cc2oc(-c3ccccc3)cc21.Cn1c(C=C2C(=O)c3cc4ccccc4cc3C2=O)cc2oc(-c3ccccc3)cc21
• InChI: InChI=1S/2C30H23NO3.C29H21NO3.C28H19NO3.C27H17NO3/c1-30(2,3)31-21(16-27-25(31)17-26(34-27)18-9-5-4-6-10-18)15-24-28(32)22-13-19-11-7-8-12-20(19)14-23(22)29(24)33;1-18(2)17-31-22(15-28-26(31)16-27(34-28)19-8-4-3-5-9-19)14-25-29(32)23-12-20-10-6-7-11-21(20)13-24(23)30(25)33;1-17(2)30-21(15-27-25(30)16-26(33-27)18-8-4-3-5-9-18)14-24-28(31)22-12-19-10-6-7-11-20(19)13-23(22)29(24)32;1-2-29-20(15-26-24(29)16-25(32-26)17-8-4-3-5-9-17)14-23-27(30)21-12-18-10-6-7-11-19(18)13-22(21)28(23)31;1-28-19(14-25-23(28)15-24(31-25)16-7-3-2-4-8-16)13-22-26(29)20-11-17-9-5-6-10-18(17)12-21(20)27(22)30/h4-17H,1-3H3;3-16,18H,17H2,1-2H3;3-17H,1-2H3;3-16H,2H2,1H3;2-15H,1H3
• InChIKey: FQCZGTUQKWYKQN-UHFFFAOYSA-N
• XLogP: 34.13
• TPSA: 261.05 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2143.43
LogP ≤ 5	34.13
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-tert-butyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-ethyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-methyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-(2-methylpropyl)-2-phenylfuro[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2-phenyl-4-propan-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?

The IUPAC name of 2-[(4-tert-butyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-ethyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-methyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-(2-methylpropyl)-2-phenylfuro[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2-phenyl-4-propan-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione (CID 158108484) is 2-[(4-tert-butyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-ethyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-methyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-(2-methylpropyl)-2-phenylfuro[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2-phenyl-4-propan-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione.

What is the SMILES notation for 2-[(4-tert-butyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-ethyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-methyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-(2-methylpropyl)-2-phenylfuro[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2-phenyl-4-propan-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?

The canonical SMILES for 2-[(4-tert-butyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-ethyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-methyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-(2-methylpropyl)-2-phenylfuro[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2-phenyl-4-propan-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione is CC(C)(C)n1c(C=C2C(=O)c3cc4ccccc4cc3C2=O)cc2oc(-c3ccccc3)cc21.CC(C)Cn1c(C=C2C(=O)c3cc4ccccc4cc3C2=O)cc2oc(-c3ccccc3)cc21.CC(C)n1c(C=C2C(=O)c3cc4ccccc4cc3C2=O)cc2oc(-c3ccccc3)cc21.CCn1c(C=C2C(=O)c3cc4ccccc4cc3C2=O)cc2oc(-c3ccccc3)cc21.Cn1c(C=C2C(=O)c3cc4ccccc4cc3C2=O)cc2oc(-c3ccccc3)cc21.

What is the InChIKey of 2-[(4-tert-butyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-ethyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-methyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-(2-methylpropyl)-2-phenylfuro[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2-phenyl-4-propan-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?

The InChIKey is FQCZGTUQKWYKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H23NO3.C29H21NO3.C28H19NO3.C27H17NO3/c1-30(2,3)31-21(16-27-25(31)17-26(34-27)18-9-5-4-6-10-18)15-24-28(32)22-13-19-11-7-8-12-20(19)14-23(22)29(24)33;1-18(2)17-31-22(15-28-26(31)16-27(34-28)19-8-4-3-5-9-19)14-25-29(32)23-12-20-10-6-7-11-21(20)13-24(23)30(25)33;1-17(2)30-21(15-27-25(30)16-26(33-27)18-8-4-3-5-9-18)14-24-28(31)22-12-19-10-6-7-11-20(19)13-23(22)29(24)32;1-2-29-20(15-26-24(29)16-25(32-26)17-8-4-3-5-9-17)14-23-27(30)21-12-18-10-6-7-11-19(18)13-22(21)28(23)31;1-28-19(14-25-23(28)15-24(31-25)16-7-3-2-4-8-16)13-22-26(29)20-11-17-9-5-6-10-18(17)12-21(20)27(22)30/h4-17H,1-3H3;3-16,18H,17H2,1-2H3;3-17H,1-2H3;3-16H,2H2,1H3;2-15H,1H3.

What are the key properties of 2-[(4-tert-butyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-ethyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-methyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-(2-methylpropyl)-2-phenylfuro[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2-phenyl-4-propan-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione?

2-[(4-tert-butyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-ethyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-methyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-(2-methylpropyl)-2-phenylfuro[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2-phenyl-4-propan-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione has a molecular weight of 2143.43 g/mol, XLogP of 34.13, 14 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-tert-butyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-ethyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(4-methyl-2-phenylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[[4-(2-methylpropyl)-2-phenylfuro[3,2-b]pyrrol-5-yl]methylidene]cyclopenta[b]naphthalene-1,3-dione;2-[(2-phenyl-4-propan-2-ylfuro[3,2-b]pyrrol-5-yl)methylidene]cyclopenta[b]naphthalene-1,3-dione is sourced from PubChem (CID 158108484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).