1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-5-[2-(3-fluorophenyl)benzimidazol-1-yl]phenyl]-2-(3-fluorophenyl)benzimidazole

C47H27F4N7 — CID 155173981

About 1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-5-[2-(3-fluorophenyl)benzimidazol-1-yl]phenyl]-2-(3-fluorophenyl)benzimidazole

1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-5-[2-(3-fluorophenyl)benzimidazol-1-yl]phenyl]-2-(3-fluorophenyl)benzimidazole (PubChem CID 155173981) has the molecular formula C47H27F4N7 and a molecular weight of 765.77 g/mol. Its IUPAC name is 1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-5-[2-(3-fluorophenyl)benzimidazol-1-yl]phenyl]-2-(3-fluorophenyl)benzimidazole.

Molecular Properties

• Compound Name: 1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-5-[2-(3-fluorophenyl)benzimidazol-1-yl]phenyl]-2-(3-fluorophenyl)benzimidazole
• PubChem CID: 155173981
• Molecular Formula: C47H27F4N7
• Molecular Weight: 765.77 g/mol
• Exact Mass: 765.23
• IUPAC Name: 1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-5-[2-(3-fluorophenyl)benzimidazol-1-yl]phenyl]-2-(3-fluorophenyl)benzimidazole
• SMILES: Fc1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3cc(-n4c(-c5cccc(F)c5)nc5ccccc54)cc(-n4c(-c5cccc(F)c5)nc5ccccc54)c3)n2)cc1
• InChI: InChI=1S/C47H27F4N7/c48-33-19-15-28(16-20-33)43-54-44(29-17-21-34(49)22-18-29)56-45(55-43)32-25-37(57-41-13-3-1-11-39(41)52-46(57)30-7-5-9-35(50)23-30)27-38(26-32)58-42-14-4-2-12-40(42)53-47(58)31-8-6-10-36(51)24-31/h1-27H
• InChIKey: VLJAGFGEXYNNOD-UHFFFAOYSA-N
• XLogP: 11.44
• TPSA: 74.31 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	765.77
LogP ≤ 5	11.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-5-[2-(3-fluorophenyl)benzimidazol-1-yl]phenyl]-2-(3-fluorophenyl)benzimidazole?

The IUPAC name of 1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-5-[2-(3-fluorophenyl)benzimidazol-1-yl]phenyl]-2-(3-fluorophenyl)benzimidazole (CID 155173981) is 1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-5-[2-(3-fluorophenyl)benzimidazol-1-yl]phenyl]-2-(3-fluorophenyl)benzimidazole.

What is the SMILES notation for 1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-5-[2-(3-fluorophenyl)benzimidazol-1-yl]phenyl]-2-(3-fluorophenyl)benzimidazole?

The canonical SMILES for 1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-5-[2-(3-fluorophenyl)benzimidazol-1-yl]phenyl]-2-(3-fluorophenyl)benzimidazole is Fc1ccc(-c2nc(-c3ccc(F)cc3)nc(-c3cc(-n4c(-c5cccc(F)c5)nc5ccccc54)cc(-n4c(-c5cccc(F)c5)nc5ccccc54)c3)n2)cc1.

What is the InChIKey of 1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-5-[2-(3-fluorophenyl)benzimidazol-1-yl]phenyl]-2-(3-fluorophenyl)benzimidazole?

The InChIKey is VLJAGFGEXYNNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H27F4N7/c48-33-19-15-28(16-20-33)43-54-44(29-17-21-34(49)22-18-29)56-45(55-43)32-25-37(57-41-13-3-1-11-39(41)52-46(57)30-7-5-9-35(50)23-30)27-38(26-32)58-42-14-4-2-12-40(42)53-47(58)31-8-6-10-36(51)24-31/h1-27H.

What are the key properties of 1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-5-[2-(3-fluorophenyl)benzimidazol-1-yl]phenyl]-2-(3-fluorophenyl)benzimidazole?

1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-5-[2-(3-fluorophenyl)benzimidazol-1-yl]phenyl]-2-(3-fluorophenyl)benzimidazole has a molecular weight of 765.77 g/mol, XLogP of 11.44, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]-5-[2-(3-fluorophenyl)benzimidazol-1-yl]phenyl]-2-(3-fluorophenyl)benzimidazole is sourced from PubChem (CID 155173981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).