2-(4-tert-butylphenyl)-3-[2-[2-(4-tert-butylphenyl)-4,6-dimethoxy-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5,6-dimethoxy-1-benzofuran;2-(4-tert-butylphenyl)-3-[2-[2-(4-tert-butylphenyl)-5,6-dimethoxy-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5,6-dimethoxy-1-benzofuran;2-(4-tert-butylphenyl)-3-[2-[2-(4-tert-butylphenyl)-6-methyl-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-1-benzofuran-6-ol

C132H120F18O15 — CID 162223811

About 2-(4-tert-butylphenyl)-3-[2-[2-(4-tert-butylphenyl)-4,6-dimethoxy-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5,6-dimethoxy-1-benzofuran;2-(4-tert-butylphenyl)-3-[2-[2-(4-tert-butylphenyl)-5,6-dimethoxy-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5,6-dimethoxy-1-benzofuran;2-(4-tert-butylphenyl)-3-[2-[2-(4-tert-butylphenyl)-6-methyl-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-1-benzofuran-6-ol

2-(4-tert-butylphenyl)-3-[2-[2-(4-tert-butylphenyl)-4,6-dimethoxy-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5,6-dimethoxy-1-benzofuran;2-(4-tert-butylphenyl)-3-[2-[2-(4-tert-butylphenyl)-5,6-dimethoxy-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5,6-dimethoxy-1-benzofuran;2-(4-tert-butylphenyl)-3-[2-[2-(4-tert-butylphenyl)-6-methyl-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-1-benzofuran-6-ol (PubChem CID 162223811) has the molecular formula C132H120F18O15 and a molecular weight of 2288.36 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-3-[2-[2-(4-tert-butylphenyl)-4,6-dimethoxy-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5,6-dimethoxy-1-benzofuran;2-(4-tert-butylphenyl)-3-[2-[2-(4-tert-butylphenyl)-5,6-dimethoxy-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5,6-dimethoxy-1-benzofuran;2-(4-tert-butylphenyl)-3-[2-[2-(4-tert-butylphenyl)-6-methyl-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-1-benzofuran-6-ol.

Molecular Properties

• Compound Name: 2-(4-tert-butylphenyl)-3-[2-[2-(4-tert-butylphenyl)-4,6-dimethoxy-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5,6-dimethoxy-1-benzofuran;2-(4-tert-butylphenyl)-3-[2-[2-(4-tert-butylphenyl)-5,6-dimethoxy-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5,6-dimethoxy-1-benzofuran;2-(4-tert-butylphenyl)-3-[2-[2-(4-tert-butylphenyl)-6-methyl-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-1-benzofuran-6-ol
• PubChem CID: 162223811
• Molecular Formula: C132H120F18O15
• Molecular Weight: 2288.36 g/mol
• Exact Mass: 2286.83
• IUPAC Name: 2-(4-tert-butylphenyl)-3-[2-[2-(4-tert-butylphenyl)-4,6-dimethoxy-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5,6-dimethoxy-1-benzofuran;2-(4-tert-butylphenyl)-3-[2-[2-(4-tert-butylphenyl)-5,6-dimethoxy-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5,6-dimethoxy-1-benzofuran;2-(4-tert-butylphenyl)-3-[2-[2-(4-tert-butylphenyl)-6-methyl-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-1-benzofuran-6-ol
• SMILES: COc1cc(OC)c2c(C3=C(c4c(-c5ccc(C(C)(C)C)cc5)oc5cc(OC)c(OC)cc45)C(F)(F)C(F)(F)C3(F)F)c(-c3ccc(C(C)(C)C)cc3)oc2c1.COc1cc2oc(-c3ccc(C(C)(C)C)cc3)c(C3=C(c4c(-c5ccc(C(C)(C)C)cc5)oc5cc(OC)c(OC)cc45)C(F)(F)C(F)(F)C3(F)F)c2cc1OC.Cc1ccc2c(C3=C(c4c(-c5ccc(C(C)(C)C)cc5)oc5cc(O)ccc45)C(F)(F)C(F)(F)C3(F)F)c(-c3ccc(C(C)(C)C)cc3)oc2c1
• InChI: InChI=1S/2C45H42F6O6.C42H36F6O3/c1-41(2,3)25-15-11-23(12-16-25)39-35(27-19-31(52-7)33(54-9)21-29(27)56-39)37-38(44(48,49)45(50,51)43(37,46)47)36-28-20-32(53-8)34(55-10)22-30(28)57-40(36)24-13-17-26(18-14-24)42(4,5)6;1-41(2,3)25-15-11-23(12-16-25)39-34(28-21-30(53-8)31(54-9)22-29(28)56-39)37-38(44(48,49)45(50,51)43(37,46)47)36-35-32(55-10)19-27(52-7)20-33(35)57-40(36)24-13-17-26(18-14-24)42(4,5)6;1-22-8-18-28-30(20-22)50-36(23-9-13-25(14-10-23)38(2,3)4)32(28)34-35(41(45,46)42(47,48)40(34,43)44)33-29-19-17-27(49)21-31(29)51-37(33)24-11-15-26(16-12-24)39(5,6)7/h2*11-22H,1-10H3;8-21,49H,1-7H3
• InChIKey: ZUMGIMSVDYSJBW-UHFFFAOYSA-N
• XLogP: 38.90
• TPSA: 172.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 20
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2288.36
LogP ≤ 5	38.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-3-[2-[2-(4-tert-butylphenyl)-4,6-dimethoxy-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5,6-dimethoxy-1-benzofuran;2-(4-tert-butylphenyl)-3-[2-[2-(4-tert-butylphenyl)-5,6-dimethoxy-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5,6-dimethoxy-1-benzofuran;2-(4-tert-butylphenyl)-3-[2-[2-(4-tert-butylphenyl)-6-methyl-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-1-benzofuran-6-ol?

The IUPAC name of 2-(4-tert-butylphenyl)-3-[2-[2-(4-tert-butylphenyl)-4,6-dimethoxy-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5,6-dimethoxy-1-benzofuran;2-(4-tert-butylphenyl)-3-[2-[2-(4-tert-butylphenyl)-5,6-dimethoxy-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5,6-dimethoxy-1-benzofuran;2-(4-tert-butylphenyl)-3-[2-[2-(4-tert-butylphenyl)-6-methyl-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-1-benzofuran-6-ol (CID 162223811) is 2-(4-tert-butylphenyl)-3-[2-[2-(4-tert-butylphenyl)-4,6-dimethoxy-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5,6-dimethoxy-1-benzofuran;2-(4-tert-butylphenyl)-3-[2-[2-(4-tert-butylphenyl)-5,6-dimethoxy-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5,6-dimethoxy-1-benzofuran;2-(4-tert-butylphenyl)-3-[2-[2-(4-tert-butylphenyl)-6-methyl-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-1-benzofuran-6-ol.

What is the SMILES notation for 2-(4-tert-butylphenyl)-3-[2-[2-(4-tert-butylphenyl)-4,6-dimethoxy-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5,6-dimethoxy-1-benzofuran;2-(4-tert-butylphenyl)-3-[2-[2-(4-tert-butylphenyl)-5,6-dimethoxy-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5,6-dimethoxy-1-benzofuran;2-(4-tert-butylphenyl)-3-[2-[2-(4-tert-butylphenyl)-6-methyl-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-1-benzofuran-6-ol?

The canonical SMILES for 2-(4-tert-butylphenyl)-3-[2-[2-(4-tert-butylphenyl)-4,6-dimethoxy-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5,6-dimethoxy-1-benzofuran;2-(4-tert-butylphenyl)-3-[2-[2-(4-tert-butylphenyl)-5,6-dimethoxy-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5,6-dimethoxy-1-benzofuran;2-(4-tert-butylphenyl)-3-[2-[2-(4-tert-butylphenyl)-6-methyl-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-1-benzofuran-6-ol is COc1cc(OC)c2c(C3=C(c4c(-c5ccc(C(C)(C)C)cc5)oc5cc(OC)c(OC)cc45)C(F)(F)C(F)(F)C3(F)F)c(-c3ccc(C(C)(C)C)cc3)oc2c1.COc1cc2oc(-c3ccc(C(C)(C)C)cc3)c(C3=C(c4c(-c5ccc(C(C)(C)C)cc5)oc5cc(OC)c(OC)cc45)C(F)(F)C(F)(F)C3(F)F)c2cc1OC.Cc1ccc2c(C3=C(c4c(-c5ccc(C(C)(C)C)cc5)oc5cc(O)ccc45)C(F)(F)C(F)(F)C3(F)F)c(-c3ccc(C(C)(C)C)cc3)oc2c1.

What is the InChIKey of 2-(4-tert-butylphenyl)-3-[2-[2-(4-tert-butylphenyl)-4,6-dimethoxy-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5,6-dimethoxy-1-benzofuran;2-(4-tert-butylphenyl)-3-[2-[2-(4-tert-butylphenyl)-5,6-dimethoxy-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5,6-dimethoxy-1-benzofuran;2-(4-tert-butylphenyl)-3-[2-[2-(4-tert-butylphenyl)-6-methyl-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-1-benzofuran-6-ol?

The InChIKey is ZUMGIMSVDYSJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C45H42F6O6.C42H36F6O3/c1-41(2,3)25-15-11-23(12-16-25)39-35(27-19-31(52-7)33(54-9)21-29(27)56-39)37-38(44(48,49)45(50,51)43(37,46)47)36-28-20-32(53-8)34(55-10)22-30(28)57-40(36)24-13-17-26(18-14-24)42(4,5)6;1-41(2,3)25-15-11-23(12-16-25)39-34(28-21-30(53-8)31(54-9)22-29(28)56-39)37-38(44(48,49)45(50,51)43(37,46)47)36-35-32(55-10)19-27(52-7)20-33(35)57-40(36)24-13-17-26(18-14-24)42(4,5)6;1-22-8-18-28-30(20-22)50-36(23-9-13-25(14-10-23)38(2,3)4)32(28)34-35(41(45,46)42(47,48)40(34,43)44)33-29-19-17-27(49)21-31(29)51-37(33)24-11-15-26(16-12-24)39(5,6)7/h2*11-22H,1-10H3;8-21,49H,1-7H3.

What are the key properties of 2-(4-tert-butylphenyl)-3-[2-[2-(4-tert-butylphenyl)-4,6-dimethoxy-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5,6-dimethoxy-1-benzofuran;2-(4-tert-butylphenyl)-3-[2-[2-(4-tert-butylphenyl)-5,6-dimethoxy-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5,6-dimethoxy-1-benzofuran;2-(4-tert-butylphenyl)-3-[2-[2-(4-tert-butylphenyl)-6-methyl-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-1-benzofuran-6-ol?

2-(4-tert-butylphenyl)-3-[2-[2-(4-tert-butylphenyl)-4,6-dimethoxy-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5,6-dimethoxy-1-benzofuran;2-(4-tert-butylphenyl)-3-[2-[2-(4-tert-butylphenyl)-5,6-dimethoxy-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5,6-dimethoxy-1-benzofuran;2-(4-tert-butylphenyl)-3-[2-[2-(4-tert-butylphenyl)-6-methyl-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-1-benzofuran-6-ol has a molecular weight of 2288.36 g/mol, XLogP of 38.90, 20 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-tert-butylphenyl)-3-[2-[2-(4-tert-butylphenyl)-4,6-dimethoxy-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5,6-dimethoxy-1-benzofuran;2-(4-tert-butylphenyl)-3-[2-[2-(4-tert-butylphenyl)-5,6-dimethoxy-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5,6-dimethoxy-1-benzofuran;2-(4-tert-butylphenyl)-3-[2-[2-(4-tert-butylphenyl)-6-methyl-1-benzofuran-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-1-benzofuran-6-ol is sourced from PubChem (CID 162223811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).