2,3-difluoro-1-hexoxy-4-[4-(4-pentylphenyl)phenyl]benzene;2,3-difluoro-1-(4-methylphenyl)-4-(4-nonylphenyl)benzene;2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-octoxybenzene;2,3-difluoro-1-octoxy-4-(4-pentylphenyl)benzene;2,3-difluoro-1-octoxy-4-[4-(4-pentylphenyl)phenyl]benzene;2-(4-nonoxyphenyl)-5-nonylpyrimidine

C168H212F10N2O5 — CID 159025198

About 2,3-difluoro-1-hexoxy-4-[4-(4-pentylphenyl)phenyl]benzene;2,3-difluoro-1-(4-methylphenyl)-4-(4-nonylphenyl)benzene;2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-octoxybenzene;2,3-difluoro-1-octoxy-4-(4-pentylphenyl)benzene;2,3-difluoro-1-octoxy-4-[4-(4-pentylphenyl)phenyl]benzene;2-(4-nonoxyphenyl)-5-nonylpyrimidine

2,3-difluoro-1-hexoxy-4-[4-(4-pentylphenyl)phenyl]benzene;2,3-difluoro-1-(4-methylphenyl)-4-(4-nonylphenyl)benzene;2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-octoxybenzene;2,3-difluoro-1-octoxy-4-(4-pentylphenyl)benzene;2,3-difluoro-1-octoxy-4-[4-(4-pentylphenyl)phenyl]benzene;2-(4-nonoxyphenyl)-5-nonylpyrimidine (PubChem CID 159025198) has the molecular formula C168H212F10N2O5 and a molecular weight of 2529.53 g/mol. Its IUPAC name is 2,3-difluoro-1-hexoxy-4-[4-(4-pentylphenyl)phenyl]benzene;2,3-difluoro-1-(4-methylphenyl)-4-(4-nonylphenyl)benzene;2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-octoxybenzene;2,3-difluoro-1-octoxy-4-(4-pentylphenyl)benzene;2,3-difluoro-1-octoxy-4-[4-(4-pentylphenyl)phenyl]benzene;2-(4-nonoxyphenyl)-5-nonylpyrimidine.

Molecular Properties

• Compound Name: 2,3-difluoro-1-hexoxy-4-[4-(4-pentylphenyl)phenyl]benzene;2,3-difluoro-1-(4-methylphenyl)-4-(4-nonylphenyl)benzene;2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-octoxybenzene;2,3-difluoro-1-octoxy-4-(4-pentylphenyl)benzene;2,3-difluoro-1-octoxy-4-[4-(4-pentylphenyl)phenyl]benzene;2-(4-nonoxyphenyl)-5-nonylpyrimidine
• PubChem CID: 159025198
• Molecular Formula: C168H212F10N2O5
• Molecular Weight: 2529.53 g/mol
• Exact Mass: 2527.62
• IUPAC Name: 2,3-difluoro-1-hexoxy-4-[4-(4-pentylphenyl)phenyl]benzene;2,3-difluoro-1-(4-methylphenyl)-4-(4-nonylphenyl)benzene;2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-octoxybenzene;2,3-difluoro-1-octoxy-4-(4-pentylphenyl)benzene;2,3-difluoro-1-octoxy-4-[4-(4-pentylphenyl)phenyl]benzene;2-(4-nonoxyphenyl)-5-nonylpyrimidine
• SMILES: CCCCCCCCCOc1ccc(-c2ncc(CCCCCCCCC)cn2)cc1.CCCCCCCCCc1ccc(-c2ccc(-c3ccc(C)cc3)c(F)c2F)cc1.CCCCCCCCOc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)c(F)c1F.CCCCCCCCOc1ccc(-c2ccc(-c3ccc(CCCCC)cc3)cc2)c(F)c1F.CCCCCCCCOc1ccc(-c2ccc(CCCCC)cc2)c(F)c1F.CCCCCCOc1ccc(-c2ccc(-c3ccc(CCCCC)cc3)cc2)c(F)c1F
• InChI: InChI=1S/C31H38F2O.C29H34F2O.C28H32F2.C28H44N2O.C27H30F2O.C25H34F2O/c1-3-5-7-8-9-11-23-34-29-22-21-28(30(32)31(29)33)27-19-17-26(18-20-27)25-15-13-24(14-16-25)12-10-6-4-2;1-3-5-7-9-21-32-27-20-19-26(28(30)29(27)31)25-17-15-24(16-18-25)23-13-11-22(12-14-23)10-8-6-4-2;1-3-4-5-6-7-8-9-10-22-13-17-24(18-14-22)26-20-19-25(27(29)28(26)30)23-15-11-21(2)12-16-23;1-3-5-7-9-11-13-15-17-25-23-29-28(30-24-25)26-18-20-27(21-19-26)31-22-16-14-12-10-8-6-4-2;1-3-4-5-6-7-8-19-30-25-18-17-24(26(28)27(25)29)23-15-13-22(14-16-23)21-11-9-20(2)10-12-21;1-3-5-7-8-9-11-19-28-23-18-17-22(24(26)25(23)27)21-15-13-20(14-16-21)12-10-6-4-2/h13-22H,3-12,23H2,1-2H3;11-20H,3-10,21H2,1-2H3;11-20H,3-10H2,1-2H3;18-21,23-24H,3-17,22H2,1-2H3;9-18H,3-8,19H2,1-2H3;13-18H,3-12,19H2,1-2H3
• InChIKey: JUERWHKGZRDZKI-UHFFFAOYSA-N
• XLogP: 52.68
• TPSA: 71.93 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 77
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2529.53
LogP ≤ 5	52.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-hexoxy-4-[4-(4-pentylphenyl)phenyl]benzene;2,3-difluoro-1-(4-methylphenyl)-4-(4-nonylphenyl)benzene;2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-octoxybenzene;2,3-difluoro-1-octoxy-4-(4-pentylphenyl)benzene;2,3-difluoro-1-octoxy-4-[4-(4-pentylphenyl)phenyl]benzene;2-(4-nonoxyphenyl)-5-nonylpyrimidine?

The IUPAC name of 2,3-difluoro-1-hexoxy-4-[4-(4-pentylphenyl)phenyl]benzene;2,3-difluoro-1-(4-methylphenyl)-4-(4-nonylphenyl)benzene;2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-octoxybenzene;2,3-difluoro-1-octoxy-4-(4-pentylphenyl)benzene;2,3-difluoro-1-octoxy-4-[4-(4-pentylphenyl)phenyl]benzene;2-(4-nonoxyphenyl)-5-nonylpyrimidine (CID 159025198) is 2,3-difluoro-1-hexoxy-4-[4-(4-pentylphenyl)phenyl]benzene;2,3-difluoro-1-(4-methylphenyl)-4-(4-nonylphenyl)benzene;2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-octoxybenzene;2,3-difluoro-1-octoxy-4-(4-pentylphenyl)benzene;2,3-difluoro-1-octoxy-4-[4-(4-pentylphenyl)phenyl]benzene;2-(4-nonoxyphenyl)-5-nonylpyrimidine.

What is the SMILES notation for 2,3-difluoro-1-hexoxy-4-[4-(4-pentylphenyl)phenyl]benzene;2,3-difluoro-1-(4-methylphenyl)-4-(4-nonylphenyl)benzene;2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-octoxybenzene;2,3-difluoro-1-octoxy-4-(4-pentylphenyl)benzene;2,3-difluoro-1-octoxy-4-[4-(4-pentylphenyl)phenyl]benzene;2-(4-nonoxyphenyl)-5-nonylpyrimidine?

The canonical SMILES for 2,3-difluoro-1-hexoxy-4-[4-(4-pentylphenyl)phenyl]benzene;2,3-difluoro-1-(4-methylphenyl)-4-(4-nonylphenyl)benzene;2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-octoxybenzene;2,3-difluoro-1-octoxy-4-(4-pentylphenyl)benzene;2,3-difluoro-1-octoxy-4-[4-(4-pentylphenyl)phenyl]benzene;2-(4-nonoxyphenyl)-5-nonylpyrimidine is CCCCCCCCCOc1ccc(-c2ncc(CCCCCCCCC)cn2)cc1.CCCCCCCCCc1ccc(-c2ccc(-c3ccc(C)cc3)c(F)c2F)cc1.CCCCCCCCOc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)c(F)c1F.CCCCCCCCOc1ccc(-c2ccc(-c3ccc(CCCCC)cc3)cc2)c(F)c1F.CCCCCCCCOc1ccc(-c2ccc(CCCCC)cc2)c(F)c1F.CCCCCCOc1ccc(-c2ccc(-c3ccc(CCCCC)cc3)cc2)c(F)c1F.

What is the InChIKey of 2,3-difluoro-1-hexoxy-4-[4-(4-pentylphenyl)phenyl]benzene;2,3-difluoro-1-(4-methylphenyl)-4-(4-nonylphenyl)benzene;2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-octoxybenzene;2,3-difluoro-1-octoxy-4-(4-pentylphenyl)benzene;2,3-difluoro-1-octoxy-4-[4-(4-pentylphenyl)phenyl]benzene;2-(4-nonoxyphenyl)-5-nonylpyrimidine?

The InChIKey is JUERWHKGZRDZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38F2O.C29H34F2O.C28H32F2.C28H44N2O.C27H30F2O.C25H34F2O/c1-3-5-7-8-9-11-23-34-29-22-21-28(30(32)31(29)33)27-19-17-26(18-20-27)25-15-13-24(14-16-25)12-10-6-4-2;1-3-5-7-9-21-32-27-20-19-26(28(30)29(27)31)25-17-15-24(16-18-25)23-13-11-22(12-14-23)10-8-6-4-2;1-3-4-5-6-7-8-9-10-22-13-17-24(18-14-22)26-20-19-25(27(29)28(26)30)23-15-11-21(2)12-16-23;1-3-5-7-9-11-13-15-17-25-23-29-28(30-24-25)26-18-20-27(21-19-26)31-22-16-14-12-10-8-6-4-2;1-3-4-5-6-7-8-19-30-25-18-17-24(26(28)27(25)29)23-15-13-22(14-16-23)21-11-9-20(2)10-12-21;1-3-5-7-8-9-11-19-28-23-18-17-22(24(26)25(23)27)21-15-13-20(14-16-21)12-10-6-4-2/h13-22H,3-12,23H2,1-2H3;11-20H,3-10,21H2,1-2H3;11-20H,3-10H2,1-2H3;18-21,23-24H,3-17,22H2,1-2H3;9-18H,3-8,19H2,1-2H3;13-18H,3-12,19H2,1-2H3.

What are the key properties of 2,3-difluoro-1-hexoxy-4-[4-(4-pentylphenyl)phenyl]benzene;2,3-difluoro-1-(4-methylphenyl)-4-(4-nonylphenyl)benzene;2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-octoxybenzene;2,3-difluoro-1-octoxy-4-(4-pentylphenyl)benzene;2,3-difluoro-1-octoxy-4-[4-(4-pentylphenyl)phenyl]benzene;2-(4-nonoxyphenyl)-5-nonylpyrimidine?

2,3-difluoro-1-hexoxy-4-[4-(4-pentylphenyl)phenyl]benzene;2,3-difluoro-1-(4-methylphenyl)-4-(4-nonylphenyl)benzene;2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-octoxybenzene;2,3-difluoro-1-octoxy-4-(4-pentylphenyl)benzene;2,3-difluoro-1-octoxy-4-[4-(4-pentylphenyl)phenyl]benzene;2-(4-nonoxyphenyl)-5-nonylpyrimidine has a molecular weight of 2529.53 g/mol, XLogP of 52.68, 77 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-difluoro-1-hexoxy-4-[4-(4-pentylphenyl)phenyl]benzene;2,3-difluoro-1-(4-methylphenyl)-4-(4-nonylphenyl)benzene;2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-octoxybenzene;2,3-difluoro-1-octoxy-4-(4-pentylphenyl)benzene;2,3-difluoro-1-octoxy-4-[4-(4-pentylphenyl)phenyl]benzene;2-(4-nonoxyphenyl)-5-nonylpyrimidine is sourced from PubChem (CID 159025198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).