4-[4-[2,6-bis[4-(trifluoromethyl)-2-pyridinyl]-4-pyridinyl]phenyl]-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine

C40H20F12N6 — CID 88558183

About 4-[4-[2,6-bis[4-(trifluoromethyl)-2-pyridinyl]-4-pyridinyl]phenyl]-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine

4-[4-[2,6-bis[4-(trifluoromethyl)-2-pyridinyl]-4-pyridinyl]phenyl]-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine (PubChem CID 88558183) has the molecular formula C40H20F12N6 and a molecular weight of 812.62 g/mol. Its IUPAC name is 4-[4-[2,6-bis[4-(trifluoromethyl)-2-pyridinyl]-4-pyridinyl]phenyl]-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine.

Molecular Properties

• Compound Name: 4-[4-[2,6-bis[4-(trifluoromethyl)-2-pyridinyl]-4-pyridinyl]phenyl]-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine
• PubChem CID: 88558183
• Molecular Formula: C40H20F12N6
• Molecular Weight: 812.62 g/mol
• Exact Mass: 812.16
• IUPAC Name: 4-[4-[2,6-bis[4-(trifluoromethyl)-2-pyridinyl]-4-pyridinyl]phenyl]-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine
• SMILES: FC(F)(F)c1ccnc(-c2cc(-c3ccc(-c4cc(-c5cc(C(F)(F)F)ccn5)nc(-c5cc(C(F)(F)F)ccn5)c4)cc3)cc(-c3cc(C(F)(F)F)ccn3)n2)c1
• InChI: InChI=1S/C40H20F12N6/c41-37(42,43)25-5-9-53-29(17-25)33-13-23(14-34(57-33)30-18-26(6-10-54-30)38(44,45)46)21-1-2-22(4-3-21)24-15-35(31-19-27(7-11-55-31)39(47,48)49)58-36(16-24)32-20-28(8-12-56-32)40(50,51)52/h1-20H
• InChIKey: OEPMGHCZPBQEFU-UHFFFAOYSA-N
• XLogP: 12.13
• TPSA: 77.34 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	812.62
LogP ≤ 5	12.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2,6-bis[4-(trifluoromethyl)-2-pyridinyl]-4-pyridinyl]phenyl]-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine?

The IUPAC name of 4-[4-[2,6-bis[4-(trifluoromethyl)-2-pyridinyl]-4-pyridinyl]phenyl]-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine (CID 88558183) is 4-[4-[2,6-bis[4-(trifluoromethyl)-2-pyridinyl]-4-pyridinyl]phenyl]-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine.

What is the SMILES notation for 4-[4-[2,6-bis[4-(trifluoromethyl)-2-pyridinyl]-4-pyridinyl]phenyl]-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine?

The canonical SMILES for 4-[4-[2,6-bis[4-(trifluoromethyl)-2-pyridinyl]-4-pyridinyl]phenyl]-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine is FC(F)(F)c1ccnc(-c2cc(-c3ccc(-c4cc(-c5cc(C(F)(F)F)ccn5)nc(-c5cc(C(F)(F)F)ccn5)c4)cc3)cc(-c3cc(C(F)(F)F)ccn3)n2)c1.

What is the InChIKey of 4-[4-[2,6-bis[4-(trifluoromethyl)-2-pyridinyl]-4-pyridinyl]phenyl]-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine?

The InChIKey is OEPMGHCZPBQEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H20F12N6/c41-37(42,43)25-5-9-53-29(17-25)33-13-23(14-34(57-33)30-18-26(6-10-54-30)38(44,45)46)21-1-2-22(4-3-21)24-15-35(31-19-27(7-11-55-31)39(47,48)49)58-36(16-24)32-20-28(8-12-56-32)40(50,51)52/h1-20H.

What are the key properties of 4-[4-[2,6-bis[4-(trifluoromethyl)-2-pyridinyl]-4-pyridinyl]phenyl]-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine?

4-[4-[2,6-bis[4-(trifluoromethyl)-2-pyridinyl]-4-pyridinyl]phenyl]-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine has a molecular weight of 812.62 g/mol, XLogP of 12.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[2,6-bis[4-(trifluoromethyl)-2-pyridinyl]-4-pyridinyl]phenyl]-2,6-bis[4-(trifluoromethyl)-2-pyridinyl]pyridine is sourced from PubChem (CID 88558183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).