3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-bis[2-(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine

C46H34F6N2 — CID 89005569

About 3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-bis[2-(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine

3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-bis[2-(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine (PubChem CID 89005569) has the molecular formula C46H34F6N2 and a molecular weight of 728.78 g/mol. Its IUPAC name is 3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-bis[2-(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine.

Molecular Properties

• Compound Name: 3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-bis[2-(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine
• PubChem CID: 89005569
• Molecular Formula: C46H34F6N2
• Molecular Weight: 728.78 g/mol
• Exact Mass: 728.26
• IUPAC Name: 3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-bis[2-(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine
• SMILES: Cc1cc(C)c(-c2cc(-c3ccccc3C(F)(F)F)c(-c3cc(-c4cccnc4)c(C)cc3C)cc2-c2ccccc2C(F)(F)F)cc1-c1cccnc1
• InChI: InChI=1S/C46H34F6N2/c1-27-19-29(3)37(21-35(27)31-11-9-17-53-25-31)41-23-40(34-14-6-8-16-44(34)46(50,51)52)42(24-39(41)33-13-5-7-15-43(33)45(47,48)49)38-22-36(28(2)20-30(38)4)32-12-10-18-54-26-32/h5-26H,1-4H3
• InChIKey: HXNBSJGIOXBXQF-UHFFFAOYSA-N
• XLogP: 13.75
• TPSA: 25.78 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	728.78
LogP ≤ 5	13.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

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

The IUPAC name of 3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-bis[2-(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine (CID 89005569) is 3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-bis[2-(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine.

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

The canonical SMILES for 3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-bis[2-(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine is Cc1cc(C)c(-c2cc(-c3ccccc3C(F)(F)F)c(-c3cc(-c4cccnc4)c(C)cc3C)cc2-c2ccccc2C(F)(F)F)cc1-c1cccnc1.

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

The InChIKey is HXNBSJGIOXBXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H34F6N2/c1-27-19-29(3)37(21-35(27)31-11-9-17-53-25-31)41-23-40(34-14-6-8-16-44(34)46(50,51)52)42(24-39(41)33-13-5-7-15-43(33)45(47,48)49)38-22-36(28(2)20-30(38)4)32-12-10-18-54-26-32/h5-26H,1-4H3.

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

3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-bis[2-(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine has a molecular weight of 728.78 g/mol, XLogP of 13.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2,5-bis[2-(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine is sourced from PubChem (CID 89005569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).