5-[4-(4-butylphenyl)-2-fluorophenyl]-2-(3,4-difluorophenyl)-1,3-difluorobenzene;2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-(3,4-difluorophenyl)-5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluorobenzene

C110H80F20 — CID 158516829

About 5-[4-(4-butylphenyl)-2-fluorophenyl]-2-(3,4-difluorophenyl)-1,3-difluorobenzene;2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-(3,4-difluorophenyl)-5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluorobenzene

5-[4-(4-butylphenyl)-2-fluorophenyl]-2-(3,4-difluorophenyl)-1,3-difluorobenzene;2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-(3,4-difluorophenyl)-5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluorobenzene (PubChem CID 158516829) has the molecular formula C110H80F20 and a molecular weight of 1781.81 g/mol. Its IUPAC name is 5-[4-(4-butylphenyl)-2-fluorophenyl]-2-(3,4-difluorophenyl)-1,3-difluorobenzene;2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-(3,4-difluorophenyl)-5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluorobenzene.

Molecular Properties

• Compound Name: 5-[4-(4-butylphenyl)-2-fluorophenyl]-2-(3,4-difluorophenyl)-1,3-difluorobenzene;2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-(3,4-difluorophenyl)-5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluorobenzene
• PubChem CID: 158516829
• Molecular Formula: C110H80F20
• Molecular Weight: 1781.81 g/mol
• Exact Mass: 1780.59
• IUPAC Name: 5-[4-(4-butylphenyl)-2-fluorophenyl]-2-(3,4-difluorophenyl)-1,3-difluorobenzene;2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-(3,4-difluorophenyl)-5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluorobenzene
• SMILES: CCCCCc1ccc(-c2ccc(-c3cc(F)c(-c4ccc(F)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCc1ccc(-c2ccc(-c3cc(F)c(-c4ccc(F)c(F)c4)c(F)c3)c(F)c2)cc1.CCCc1ccc(-c2ccc(-c3cc(F)c(-c4ccc(F)c(F)c4)c(F)c3)c(F)c2)cc1.CCc1ccc(-c2ccc(-c3cc(F)c(-c4ccc(F)c(F)c4)c(F)c3)c(F)c2)cc1
• InChI: InChI=1S/C29H23F5.C28H21F5.C27H19F5.C26H17F5/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-23(25(31)14-20)22-16-27(33)29(28(34)17-22)21-11-13-24(30)26(32)15-21;1-2-3-4-17-5-7-18(8-6-17)19-9-11-22(24(30)13-19)21-15-26(32)28(27(33)16-21)20-10-12-23(29)25(31)14-20;1-2-3-16-4-6-17(7-5-16)18-8-10-21(23(29)12-18)20-14-25(31)27(26(32)15-20)19-9-11-22(28)24(30)13-19;1-2-15-3-5-16(6-4-15)17-7-9-20(22(28)11-17)19-13-24(30)26(25(31)14-19)18-8-10-21(27)23(29)12-18/h6-17H,2-5H2,1H3;5-16H,2-4H2,1H3;4-15H,2-3H2,1H3;3-14H,2H2,1H3
• InChIKey: HLSOVKDNRZQPKN-UHFFFAOYSA-N
• XLogP: 34.12
• TPSA: 0.00 Ų
• Rotatable Bonds: 22
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1781.81
LogP ≤ 5	34.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-butylphenyl)-2-fluorophenyl]-2-(3,4-difluorophenyl)-1,3-difluorobenzene;2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-(3,4-difluorophenyl)-5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluorobenzene?

The IUPAC name of 5-[4-(4-butylphenyl)-2-fluorophenyl]-2-(3,4-difluorophenyl)-1,3-difluorobenzene;2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-(3,4-difluorophenyl)-5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluorobenzene (CID 158516829) is 5-[4-(4-butylphenyl)-2-fluorophenyl]-2-(3,4-difluorophenyl)-1,3-difluorobenzene;2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-(3,4-difluorophenyl)-5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluorobenzene.

What is the SMILES notation for 5-[4-(4-butylphenyl)-2-fluorophenyl]-2-(3,4-difluorophenyl)-1,3-difluorobenzene;2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-(3,4-difluorophenyl)-5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluorobenzene?

The canonical SMILES for 5-[4-(4-butylphenyl)-2-fluorophenyl]-2-(3,4-difluorophenyl)-1,3-difluorobenzene;2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-(3,4-difluorophenyl)-5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluorobenzene is CCCCCc1ccc(-c2ccc(-c3cc(F)c(-c4ccc(F)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCc1ccc(-c2ccc(-c3cc(F)c(-c4ccc(F)c(F)c4)c(F)c3)c(F)c2)cc1.CCCc1ccc(-c2ccc(-c3cc(F)c(-c4ccc(F)c(F)c4)c(F)c3)c(F)c2)cc1.CCc1ccc(-c2ccc(-c3cc(F)c(-c4ccc(F)c(F)c4)c(F)c3)c(F)c2)cc1.

What is the InChIKey of 5-[4-(4-butylphenyl)-2-fluorophenyl]-2-(3,4-difluorophenyl)-1,3-difluorobenzene;2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-(3,4-difluorophenyl)-5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluorobenzene?

The InChIKey is HLSOVKDNRZQPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F5.C28H21F5.C27H19F5.C26H17F5/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-23(25(31)14-20)22-16-27(33)29(28(34)17-22)21-11-13-24(30)26(32)15-21;1-2-3-4-17-5-7-18(8-6-17)19-9-11-22(24(30)13-19)21-15-26(32)28(27(33)16-21)20-10-12-23(29)25(31)14-20;1-2-3-16-4-6-17(7-5-16)18-8-10-21(23(29)12-18)20-14-25(31)27(26(32)15-20)19-9-11-22(28)24(30)13-19;1-2-15-3-5-16(6-4-15)17-7-9-20(22(28)11-17)19-13-24(30)26(25(31)14-19)18-8-10-21(27)23(29)12-18/h6-17H,2-5H2,1H3;5-16H,2-4H2,1H3;4-15H,2-3H2,1H3;3-14H,2H2,1H3.

What are the key properties of 5-[4-(4-butylphenyl)-2-fluorophenyl]-2-(3,4-difluorophenyl)-1,3-difluorobenzene;2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-(3,4-difluorophenyl)-5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluorobenzene?

5-[4-(4-butylphenyl)-2-fluorophenyl]-2-(3,4-difluorophenyl)-1,3-difluorobenzene;2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-(3,4-difluorophenyl)-5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluorobenzene has a molecular weight of 1781.81 g/mol, XLogP of 34.12, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(4-butylphenyl)-2-fluorophenyl]-2-(3,4-difluorophenyl)-1,3-difluorobenzene;2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-(3,4-difluorophenyl)-5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluorobenzene is sourced from PubChem (CID 158516829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).