N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide

C58H30F30N8O2 — CID 139170858

About N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide

N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide (PubChem CID 139170858) has the molecular formula C58H30F30N8O2 and a molecular weight of 1440.87 g/mol. Its IUPAC name is N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide.

Molecular Properties

• Compound Name: N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
• PubChem CID: 139170858
• Molecular Formula: C58H30F30N8O2
• Molecular Weight: 1440.87 g/mol
• Exact Mass: 1440.20
• IUPAC Name: N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
• SMILES: O=C(Nc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=C(Nc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/2C29H15F15N4O/c2*30-23(31,24(32,33)25(34,35)26(36,37)27(38,39)28(40,41)29(42,43)44)22(49)47-17-9-7-15(8-10-17)16-13-20(18-5-1-3-11-45-18)48-21(14-16)19-6-2-4-12-46-19/h2*1-14H,(H,47,49)
• InChIKey: BBVQETFFLQPBTM-UHFFFAOYSA-N
• XLogP: 18.37
• TPSA: 135.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 20
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1440.87
LogP ≤ 5	18.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide?

The IUPAC name of N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide (CID 139170858) is N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide.

What is the SMILES notation for N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide?

The canonical SMILES for N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide is O=C(Nc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=C(Nc1ccc(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.

What is the InChIKey of N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide?

The InChIKey is BBVQETFFLQPBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H15F15N4O/c2*30-23(31,24(32,33)25(34,35)26(36,37)27(38,39)28(40,41)29(42,43)44)22(49)47-17-9-7-15(8-10-17)16-13-20(18-5-1-3-11-45-18)48-21(14-16)19-6-2-4-12-46-19/h2*1-14H,(H,47,49).

What are the key properties of N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide?

N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide has a molecular weight of 1440.87 g/mol, XLogP of 18.37, 20 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide is sourced from PubChem (CID 139170858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).