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

C48H38F6N2 — CID 89005567

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

3-[3-[2,5-bis[2-(trifluoromethyl)phenyl]-4-(2,4,6-trimethyl-3-pyridin-3-ylphenyl)phenyl]-2,4,6-trimethylphenyl]pyridine (PubChem CID 89005567) has the molecular formula C48H38F6N2 and a molecular weight of 756.83 g/mol. Its IUPAC name is 3-[3-[2,5-bis[2-(trifluoromethyl)phenyl]-4-(2,4,6-trimethyl-3-pyridin-3-ylphenyl)phenyl]-2,4,6-trimethylphenyl]pyridine.

Molecular Properties

• Compound Name: 3-[3-[2,5-bis[2-(trifluoromethyl)phenyl]-4-(2,4,6-trimethyl-3-pyridin-3-ylphenyl)phenyl]-2,4,6-trimethylphenyl]pyridine
• PubChem CID: 89005567
• Molecular Formula: C48H38F6N2
• Molecular Weight: 756.83 g/mol
• Exact Mass: 756.29
• IUPAC Name: 3-[3-[2,5-bis[2-(trifluoromethyl)phenyl]-4-(2,4,6-trimethyl-3-pyridin-3-ylphenyl)phenyl]-2,4,6-trimethylphenyl]pyridine
• SMILES: Cc1cc(C)c(-c2cc(-c3ccccc3C(F)(F)F)c(-c3c(C)cc(C)c(-c4cccnc4)c3C)cc2-c2ccccc2C(F)(F)F)c(C)c1-c1cccnc1
• InChI: InChI=1S/C48H38F6N2/c1-27-21-29(3)45(31(5)43(27)33-13-11-19-55-25-33)39-23-38(36-16-8-10-18-42(36)48(52,53)54)40(24-37(39)35-15-7-9-17-41(35)47(49,50)51)46-30(4)22-28(2)44(32(46)6)34-14-12-20-56-26-34/h7-26H,1-6H3
• InChIKey: AAQRNQLCVLSDSW-UHFFFAOYSA-N
• XLogP: 14.37
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	756.83
LogP ≤ 5	14.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 3-[3-[2,5-bis[2-(trifluoromethyl)phenyl]-4-(2,4,6-trimethyl-3-pyridin-3-ylphenyl)phenyl]-2,4,6-trimethylphenyl]pyridine (CID 89005567) is 3-[3-[2,5-bis[2-(trifluoromethyl)phenyl]-4-(2,4,6-trimethyl-3-pyridin-3-ylphenyl)phenyl]-2,4,6-trimethylphenyl]pyridine.

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

The canonical SMILES for 3-[3-[2,5-bis[2-(trifluoromethyl)phenyl]-4-(2,4,6-trimethyl-3-pyridin-3-ylphenyl)phenyl]-2,4,6-trimethylphenyl]pyridine is Cc1cc(C)c(-c2cc(-c3ccccc3C(F)(F)F)c(-c3c(C)cc(C)c(-c4cccnc4)c3C)cc2-c2ccccc2C(F)(F)F)c(C)c1-c1cccnc1.

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

The InChIKey is AAQRNQLCVLSDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38F6N2/c1-27-21-29(3)45(31(5)43(27)33-13-11-19-55-25-33)39-23-38(36-16-8-10-18-42(36)48(52,53)54)40(24-37(39)35-15-7-9-17-41(35)47(49,50)51)46-30(4)22-28(2)44(32(46)6)34-14-12-20-56-26-34/h7-26H,1-6H3.

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

3-[3-[2,5-bis[2-(trifluoromethyl)phenyl]-4-(2,4,6-trimethyl-3-pyridin-3-ylphenyl)phenyl]-2,4,6-trimethylphenyl]pyridine has a molecular weight of 756.83 g/mol, XLogP of 14.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[2,5-bis[2-(trifluoromethyl)phenyl]-4-(2,4,6-trimethyl-3-pyridin-3-ylphenyl)phenyl]-2,4,6-trimethylphenyl]pyridine is sourced from PubChem (CID 89005567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).