3-[2,4,6-trimethyl-3-[2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]-4-(2,4,6-trimethyl-3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine

C48H41F3N2 — CID 59609416

About 3-[2,4,6-trimethyl-3-[2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]-4-(2,4,6-trimethyl-3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine

3-[2,4,6-trimethyl-3-[2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]-4-(2,4,6-trimethyl-3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine (PubChem CID 59609416) has the molecular formula C48H41F3N2 and a molecular weight of 702.86 g/mol. Its IUPAC name is 3-[2,4,6-trimethyl-3-[2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]-4-(2,4,6-trimethyl-3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine.

Molecular Properties

• Compound Name: 3-[2,4,6-trimethyl-3-[2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]-4-(2,4,6-trimethyl-3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
• PubChem CID: 59609416
• Molecular Formula: C48H41F3N2
• Molecular Weight: 702.86 g/mol
• Exact Mass: 702.32
• IUPAC Name: 3-[2,4,6-trimethyl-3-[2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]-4-(2,4,6-trimethyl-3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine
• SMILES: Cc1ccccc1-c1cc(-c2c(C)cc(C)c(-c3cccnc3)c2C)c(-c2ccccc2C(F)(F)F)cc1-c1c(C)cc(C)c(-c2cccnc2)c1C
• InChI: InChI=1S/C48H41F3N2/c1-28-14-8-9-17-37(28)39-24-42(47-32(5)23-30(3)45(34(47)7)36-16-13-21-53-27-36)40(38-18-10-11-19-43(38)48(49,50)51)25-41(39)46-31(4)22-29(2)44(33(46)6)35-15-12-20-52-26-35/h8-27H,1-7H3
• InChIKey: PXPWUIAFISOXNZ-UHFFFAOYSA-N
• XLogP: 13.66
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	702.86
LogP ≤ 5	13.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-[2,4,6-trimethyl-3-[2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]-4-(2,4,6-trimethyl-3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?

The IUPAC name of 3-[2,4,6-trimethyl-3-[2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]-4-(2,4,6-trimethyl-3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine (CID 59609416) is 3-[2,4,6-trimethyl-3-[2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]-4-(2,4,6-trimethyl-3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine.

What is the SMILES notation for 3-[2,4,6-trimethyl-3-[2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]-4-(2,4,6-trimethyl-3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?

The canonical SMILES for 3-[2,4,6-trimethyl-3-[2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]-4-(2,4,6-trimethyl-3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine is Cc1ccccc1-c1cc(-c2c(C)cc(C)c(-c3cccnc3)c2C)c(-c2ccccc2C(F)(F)F)cc1-c1c(C)cc(C)c(-c2cccnc2)c1C.

What is the InChIKey of 3-[2,4,6-trimethyl-3-[2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]-4-(2,4,6-trimethyl-3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?

The InChIKey is PXPWUIAFISOXNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H41F3N2/c1-28-14-8-9-17-37(28)39-24-42(47-32(5)23-30(3)45(34(47)7)36-16-13-21-53-27-36)40(38-18-10-11-19-43(38)48(49,50)51)25-41(39)46-31(4)22-29(2)44(33(46)6)35-15-12-20-52-26-35/h8-27H,1-7H3.

What are the key properties of 3-[2,4,6-trimethyl-3-[2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]-4-(2,4,6-trimethyl-3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine?

3-[2,4,6-trimethyl-3-[2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]-4-(2,4,6-trimethyl-3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine has a molecular weight of 702.86 g/mol, XLogP of 13.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2,4,6-trimethyl-3-[2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]-4-(2,4,6-trimethyl-3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine is sourced from PubChem (CID 59609416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).