7-fluoro-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[6-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-1-benzofuran-4-yl]benzimidazole

C64H57FN4O2 — CID 177293755

About 7-fluoro-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[6-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-1-benzofuran-4-yl]benzimidazole

7-fluoro-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[6-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-1-benzofuran-4-yl]benzimidazole (PubChem CID 177293755) has the molecular formula C64H57FN4O2 and a molecular weight of 933.18 g/mol. Its IUPAC name is 7-fluoro-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[6-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-1-benzofuran-4-yl]benzimidazole.

Molecular Properties

• Compound Name: 7-fluoro-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[6-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-1-benzofuran-4-yl]benzimidazole
• PubChem CID: 177293755
• Molecular Formula: C64H57FN4O2
• Molecular Weight: 933.18 g/mol
• Exact Mass: 932.45
• IUPAC Name: 7-fluoro-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[6-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-1-benzofuran-4-yl]benzimidazole
• SMILES: CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2cccc(Oc3cc(-c4nc5cccc(F)c5n4-c4c(C(C)C)cc(-c5ccccc5)cc4C(C)C)c4ccoc4c3)c2)nc2ccccc21
• InChI: InChI=1S/C64H57FN4O2/c1-38(2)50-32-45(42-19-11-9-12-20-42)33-51(39(3)4)60(50)68-58-28-16-15-26-56(58)66-63(68)44-23-17-24-47(31-44)71-48-36-54(49-29-30-70-59(49)37-48)64-67-57-27-18-25-55(65)62(57)69(64)61-52(40(5)6)34-46(35-53(61)41(7)8)43-21-13-10-14-22-43/h9-41H,1-8H3
• InChIKey: RQEZVAAWXLYPBI-UHFFFAOYSA-N
• XLogP: 18.20
• TPSA: 58.01 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	933.18
LogP ≤ 5	18.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[6-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-1-benzofuran-4-yl]benzimidazole?

The IUPAC name of 7-fluoro-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[6-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-1-benzofuran-4-yl]benzimidazole (CID 177293755) is 7-fluoro-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[6-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-1-benzofuran-4-yl]benzimidazole.

What is the SMILES notation for 7-fluoro-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[6-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-1-benzofuran-4-yl]benzimidazole?

The canonical SMILES for 7-fluoro-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[6-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-1-benzofuran-4-yl]benzimidazole is CC(C)c1cc(-c2ccccc2)cc(C(C)C)c1-n1c(-c2cccc(Oc3cc(-c4nc5cccc(F)c5n4-c4c(C(C)C)cc(-c5ccccc5)cc4C(C)C)c4ccoc4c3)c2)nc2ccccc21.

What is the InChIKey of 7-fluoro-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[6-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-1-benzofuran-4-yl]benzimidazole?

The InChIKey is RQEZVAAWXLYPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H57FN4O2/c1-38(2)50-32-45(42-19-11-9-12-20-42)33-51(39(3)4)60(50)68-58-28-16-15-26-56(58)66-63(68)44-23-17-24-47(31-44)71-48-36-54(49-29-30-70-59(49)37-48)64-67-57-27-18-25-55(65)62(57)69(64)61-52(40(5)6)34-46(35-53(61)41(7)8)43-21-13-10-14-22-43/h9-41H,1-8H3.

What are the key properties of 7-fluoro-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[6-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-1-benzofuran-4-yl]benzimidazole?

7-fluoro-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[6-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-1-benzofuran-4-yl]benzimidazole has a molecular weight of 933.18 g/mol, XLogP of 18.20, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]-2-[6-[3-[1-[4-phenyl-2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]phenoxy]-1-benzofuran-4-yl]benzimidazole is sourced from PubChem (CID 177293755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).