3-[5-[2,5-diphenyl-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine

C44H24F12N2 — CID 89005557

About 3-[5-[2,5-diphenyl-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine

3-[5-[2,5-diphenyl-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine (PubChem CID 89005557) has the molecular formula C44H24F12N2 and a molecular weight of 808.67 g/mol. Its IUPAC name is 3-[5-[2,5-diphenyl-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine.

Molecular Properties

• Compound Name: 3-[5-[2,5-diphenyl-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine
• PubChem CID: 89005557
• Molecular Formula: C44H24F12N2
• Molecular Weight: 808.67 g/mol
• Exact Mass: 808.17
• IUPAC Name: 3-[5-[2,5-diphenyl-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine
• SMILES: FC(F)(F)c1cc(C(F)(F)F)c(-c2cc(-c3ccccc3)c(-c3cc(-c4cccnc4)c(C(F)(F)F)cc3C(F)(F)F)cc2-c2ccccc2)cc1-c1cccnc1
• InChI: InChI=1S/C44H24F12N2/c45-41(46,47)37-21-39(43(51,52)53)35(19-31(37)27-13-7-15-57-23-27)33-18-30(26-11-5-2-6-12-26)34(17-29(33)25-9-3-1-4-10-25)36-20-32(28-14-8-16-58-24-28)38(42(48,49)50)22-40(36)44(54,55)56/h1-24H
• InChIKey: SSOOLYCTYBSCTP-UHFFFAOYSA-N
• XLogP: 14.55
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	808.67
LogP ≤ 5	14.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2,5-diphenyl-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine?

The IUPAC name of 3-[5-[2,5-diphenyl-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine (CID 89005557) is 3-[5-[2,5-diphenyl-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine.

What is the SMILES notation for 3-[5-[2,5-diphenyl-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine?

The canonical SMILES for 3-[5-[2,5-diphenyl-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine is FC(F)(F)c1cc(C(F)(F)F)c(-c2cc(-c3ccccc3)c(-c3cc(-c4cccnc4)c(C(F)(F)F)cc3C(F)(F)F)cc2-c2ccccc2)cc1-c1cccnc1.

What is the InChIKey of 3-[5-[2,5-diphenyl-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine?

The InChIKey is SSOOLYCTYBSCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H24F12N2/c45-41(46,47)37-21-39(43(51,52)53)35(19-31(37)27-13-7-15-57-23-27)33-18-30(26-11-5-2-6-12-26)34(17-29(33)25-9-3-1-4-10-25)36-20-32(28-14-8-16-58-24-28)38(42(48,49)50)22-40(36)44(54,55)56/h1-24H.

What are the key properties of 3-[5-[2,5-diphenyl-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine?

3-[5-[2,5-diphenyl-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine has a molecular weight of 808.67 g/mol, XLogP of 14.55, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[2,5-diphenyl-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-bis(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 89005557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).