1,4-bis(2,4-dimethyl-5-phenylphenyl)-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]benzene;3-[5-[2,5-bis(2-methylphenyl)-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine

C140H110F12N4 — CID 91191926

About 1,4-bis(2,4-dimethyl-5-phenylphenyl)-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]benzene;3-[5-[2,5-bis(2-methylphenyl)-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine

1,4-bis(2,4-dimethyl-5-phenylphenyl)-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]benzene;3-[5-[2,5-bis(2-methylphenyl)-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine (PubChem CID 91191926) has the molecular formula C140H110F12N4 and a molecular weight of 2076.42 g/mol. Its IUPAC name is 1,4-bis(2,4-dimethyl-5-phenylphenyl)-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]benzene;3-[5-[2,5-bis(2-methylphenyl)-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine.

Molecular Properties

• Compound Name: 1,4-bis(2,4-dimethyl-5-phenylphenyl)-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]benzene;3-[5-[2,5-bis(2-methylphenyl)-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine
• PubChem CID: 91191926
• Molecular Formula: C140H110F12N4
• Molecular Weight: 2076.42 g/mol
• Exact Mass: 2074.85
• IUPAC Name: 1,4-bis(2,4-dimethyl-5-phenylphenyl)-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]benzene;3-[5-[2,5-bis(2-methylphenyl)-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine
• SMILES: Cc1cc(C)c(-c2cc(-c3ccccc3C(F)(F)F)c(-c3cc(-c4ccccc4)c(C)cc3C)cc2-c2ccccc2C)cc1-c1ccccc1.Cc1cc(C)c(-c2cc(-c3ccccc3C(F)(F)F)c(-c3cc(-c4cccnc4)c(C)cc3C)cc2-c2ccccc2C)cc1-c1cccnc1.Cc1cc(C)c(-c2cc(-c3ccccc3C)c(-c3cc(-c4cccnc4)c(C(F)(F)F)cc3C(F)(F)F)cc2-c2ccccc2C)cc1-c1cccnc1
• InChI: InChI=1S/C48H39F3.C46H34F6N2.C46H37F3N2/c1-30-16-12-13-21-37(30)43-28-46(42-27-40(32(3)25-34(42)5)36-19-10-7-11-20-36)44(38-22-14-15-23-47(38)48(49,50)51)29-45(43)41-26-39(31(2)24-33(41)4)35-17-8-6-9-18-35;1-27-11-5-7-15-33(27)38-23-41(42-21-37(32-14-10-18-54-26-32)43(45(47,48)49)24-44(42)46(50,51)52)39(34-16-8-6-12-28(34)2)22-40(38)36-20-35(29(3)19-30(36)4)31-13-9-17-53-25-31;1-28-12-6-7-15-35(28)41-24-44(40-23-38(30(3)21-32(40)5)34-14-11-19-51-27-34)42(36-16-8-9-17-45(36)46(47,48)49)25-43(41)39-22-37(29(2)20-31(39)4)33-13-10-18-50-26-33/h6-29H,1-5H3;5-26H,1-4H3;6-27H,1-5H3
• InChIKey: SBGVOSURHSFBLK-UHFFFAOYSA-N
• XLogP: 41.04
• TPSA: 51.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 18
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2076.42
LogP ≤ 5	41.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(2,4-dimethyl-5-phenylphenyl)-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]benzene;3-[5-[2,5-bis(2-methylphenyl)-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine?

The IUPAC name of 1,4-bis(2,4-dimethyl-5-phenylphenyl)-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]benzene;3-[5-[2,5-bis(2-methylphenyl)-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine (CID 91191926) is 1,4-bis(2,4-dimethyl-5-phenylphenyl)-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]benzene;3-[5-[2,5-bis(2-methylphenyl)-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine.

What is the SMILES notation for 1,4-bis(2,4-dimethyl-5-phenylphenyl)-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]benzene;3-[5-[2,5-bis(2-methylphenyl)-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine?

The canonical SMILES for 1,4-bis(2,4-dimethyl-5-phenylphenyl)-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]benzene;3-[5-[2,5-bis(2-methylphenyl)-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine is Cc1cc(C)c(-c2cc(-c3ccccc3C(F)(F)F)c(-c3cc(-c4ccccc4)c(C)cc3C)cc2-c2ccccc2C)cc1-c1ccccc1.Cc1cc(C)c(-c2cc(-c3ccccc3C(F)(F)F)c(-c3cc(-c4cccnc4)c(C)cc3C)cc2-c2ccccc2C)cc1-c1cccnc1.Cc1cc(C)c(-c2cc(-c3ccccc3C)c(-c3cc(-c4cccnc4)c(C(F)(F)F)cc3C(F)(F)F)cc2-c2ccccc2C)cc1-c1cccnc1.

What is the InChIKey of 1,4-bis(2,4-dimethyl-5-phenylphenyl)-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]benzene;3-[5-[2,5-bis(2-methylphenyl)-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine?

The InChIKey is SBGVOSURHSFBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H39F3.C46H34F6N2.C46H37F3N2/c1-30-16-12-13-21-37(30)43-28-46(42-27-40(32(3)25-34(42)5)36-19-10-7-11-20-36)44(38-22-14-15-23-47(38)48(49,50)51)29-45(43)41-26-39(31(2)24-33(41)4)35-17-8-6-9-18-35;1-27-11-5-7-15-33(27)38-23-41(42-21-37(32-14-10-18-54-26-32)43(45(47,48)49)24-44(42)46(50,51)52)39(34-16-8-6-12-28(34)2)22-40(38)36-20-35(29(3)19-30(36)4)31-13-9-17-53-25-31;1-28-12-6-7-15-35(28)41-24-44(40-23-38(30(3)21-32(40)5)34-14-11-19-51-27-34)42(36-16-8-9-17-45(36)46(47,48)49)25-43(41)39-22-37(29(2)20-31(39)4)33-13-10-18-50-26-33/h6-29H,1-5H3;5-26H,1-4H3;6-27H,1-5H3.

What are the key properties of 1,4-bis(2,4-dimethyl-5-phenylphenyl)-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]benzene;3-[5-[2,5-bis(2-methylphenyl)-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine?

1,4-bis(2,4-dimethyl-5-phenylphenyl)-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]benzene;3-[5-[2,5-bis(2-methylphenyl)-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine has a molecular weight of 2076.42 g/mol, XLogP of 41.04, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-bis(2,4-dimethyl-5-phenylphenyl)-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]benzene;3-[5-[2,5-bis(2-methylphenyl)-4-[5-pyridin-3-yl-2,4-bis(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine;3-[5-[4-(2,4-dimethyl-5-pyridin-3-ylphenyl)-2-(2-methylphenyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,4-dimethylphenyl]pyridine is sourced from PubChem (CID 91191926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).