1,4-bis(4-butylphenyl)-2-fluorobenzene;1-(4-butylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;2-fluoro-1,4-bis(4-pentylphenyl)benzene;2-fluoro-4-(4-pentylphenyl)-1-(4-propylphenyl)benzene

C159H180F6 — CID 167612803

About 1,4-bis(4-butylphenyl)-2-fluorobenzene;1-(4-butylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;2-fluoro-1,4-bis(4-pentylphenyl)benzene;2-fluoro-4-(4-pentylphenyl)-1-(4-propylphenyl)benzene

1,4-bis(4-butylphenyl)-2-fluorobenzene;1-(4-butylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;2-fluoro-1,4-bis(4-pentylphenyl)benzene;2-fluoro-4-(4-pentylphenyl)-1-(4-propylphenyl)benzene (PubChem CID 167612803) has the molecular formula C159H180F6 and a molecular weight of 2205.18 g/mol. Its IUPAC name is 1,4-bis(4-butylphenyl)-2-fluorobenzene;1-(4-butylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;2-fluoro-1,4-bis(4-pentylphenyl)benzene;2-fluoro-4-(4-pentylphenyl)-1-(4-propylphenyl)benzene.

Molecular Properties

• Compound Name: 1,4-bis(4-butylphenyl)-2-fluorobenzene;1-(4-butylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;2-fluoro-1,4-bis(4-pentylphenyl)benzene;2-fluoro-4-(4-pentylphenyl)-1-(4-propylphenyl)benzene
• PubChem CID: 167612803
• Molecular Formula: C159H180F6
• Molecular Weight: 2205.18 g/mol
• Exact Mass: 2203.40
• IUPAC Name: 1,4-bis(4-butylphenyl)-2-fluorobenzene;1-(4-butylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;2-fluoro-1,4-bis(4-pentylphenyl)benzene;2-fluoro-4-(4-pentylphenyl)-1-(4-propylphenyl)benzene
• SMILES: CCCCCc1ccc(-c2ccc(-c3ccc(CC)cc3)c(F)c2)cc1.CCCCCc1ccc(-c2ccc(-c3ccc(CCC)cc3)c(F)c2)cc1.CCCCCc1ccc(-c2ccc(-c3ccc(CCCC)cc3)c(F)c2)cc1.CCCCCc1ccc(-c2ccc(-c3ccc(CCCC)cc3)cc2F)cc1.CCCCCc1ccc(-c2ccc(-c3ccc(CCCCC)cc3)c(F)c2)cc1.CCCCc1ccc(-c2ccc(-c3ccc(CCCC)cc3)c(F)c2)cc1
• InChI: InChI=1S/C28H33F.2C27H31F.2C26H29F.C25H27F/c1-3-5-7-9-22-11-15-24(16-12-22)26-19-20-27(28(29)21-26)25-17-13-23(14-18-25)10-8-6-4-2;1-3-5-7-9-22-10-14-23(15-11-22)25-18-19-26(27(28)20-25)24-16-12-21(13-17-24)8-6-4-2;1-3-5-7-9-22-12-16-24(17-13-22)26-19-18-25(20-27(26)28)23-14-10-21(11-15-23)8-6-4-2;1-3-5-6-8-21-9-13-22(14-10-21)24-17-18-25(26(27)19-24)23-15-11-20(7-4-2)12-16-23;1-3-5-7-20-9-13-22(14-10-20)24-17-18-25(26(27)19-24)23-15-11-21(12-16-23)8-6-4-2;1-3-5-6-7-20-10-12-21(13-11-20)23-16-17-24(25(26)18-23)22-14-8-19(4-2)9-15-22/h11-21H,3-10H2,1-2H3;2*10-20H,3-9H2,1-2H3;2*9-19H,3-8H2,1-2H3;8-18H,3-7H2,1-2H3
• InChIKey: LHQFVAWDGJRPJN-UHFFFAOYSA-N
• XLogP: 48.24
• TPSA: 0.00 Ų
• Rotatable Bonds: 51
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2205.18
LogP ≤ 5	48.24
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 1,4-bis(4-butylphenyl)-2-fluorobenzene;1-(4-butylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;2-fluoro-1,4-bis(4-pentylphenyl)benzene;2-fluoro-4-(4-pentylphenyl)-1-(4-propylphenyl)benzene?

The IUPAC name of 1,4-bis(4-butylphenyl)-2-fluorobenzene;1-(4-butylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;2-fluoro-1,4-bis(4-pentylphenyl)benzene;2-fluoro-4-(4-pentylphenyl)-1-(4-propylphenyl)benzene (CID 167612803) is 1,4-bis(4-butylphenyl)-2-fluorobenzene;1-(4-butylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;2-fluoro-1,4-bis(4-pentylphenyl)benzene;2-fluoro-4-(4-pentylphenyl)-1-(4-propylphenyl)benzene.

What is the SMILES notation for 1,4-bis(4-butylphenyl)-2-fluorobenzene;1-(4-butylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;2-fluoro-1,4-bis(4-pentylphenyl)benzene;2-fluoro-4-(4-pentylphenyl)-1-(4-propylphenyl)benzene?

The canonical SMILES for 1,4-bis(4-butylphenyl)-2-fluorobenzene;1-(4-butylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;2-fluoro-1,4-bis(4-pentylphenyl)benzene;2-fluoro-4-(4-pentylphenyl)-1-(4-propylphenyl)benzene is CCCCCc1ccc(-c2ccc(-c3ccc(CC)cc3)c(F)c2)cc1.CCCCCc1ccc(-c2ccc(-c3ccc(CCC)cc3)c(F)c2)cc1.CCCCCc1ccc(-c2ccc(-c3ccc(CCCC)cc3)c(F)c2)cc1.CCCCCc1ccc(-c2ccc(-c3ccc(CCCC)cc3)cc2F)cc1.CCCCCc1ccc(-c2ccc(-c3ccc(CCCCC)cc3)c(F)c2)cc1.CCCCc1ccc(-c2ccc(-c3ccc(CCCC)cc3)c(F)c2)cc1.

What is the InChIKey of 1,4-bis(4-butylphenyl)-2-fluorobenzene;1-(4-butylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;2-fluoro-1,4-bis(4-pentylphenyl)benzene;2-fluoro-4-(4-pentylphenyl)-1-(4-propylphenyl)benzene?

The InChIKey is LHQFVAWDGJRPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33F.2C27H31F.2C26H29F.C25H27F/c1-3-5-7-9-22-11-15-24(16-12-22)26-19-20-27(28(29)21-26)25-17-13-23(14-18-25)10-8-6-4-2;1-3-5-7-9-22-10-14-23(15-11-22)25-18-19-26(27(28)20-25)24-16-12-21(13-17-24)8-6-4-2;1-3-5-7-9-22-12-16-24(17-13-22)26-19-18-25(20-27(26)28)23-14-10-21(11-15-23)8-6-4-2;1-3-5-6-8-21-9-13-22(14-10-21)24-17-18-25(26(27)19-24)23-15-11-20(7-4-2)12-16-23;1-3-5-7-20-9-13-22(14-10-20)24-17-18-25(26(27)19-24)23-15-11-21(12-16-23)8-6-4-2;1-3-5-6-7-20-10-12-21(13-11-20)23-16-17-24(25(26)18-23)22-14-8-19(4-2)9-15-22/h11-21H,3-10H2,1-2H3;2*10-20H,3-9H2,1-2H3;2*9-19H,3-8H2,1-2H3;8-18H,3-7H2,1-2H3.

What are the key properties of 1,4-bis(4-butylphenyl)-2-fluorobenzene;1-(4-butylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;2-fluoro-1,4-bis(4-pentylphenyl)benzene;2-fluoro-4-(4-pentylphenyl)-1-(4-propylphenyl)benzene?

1,4-bis(4-butylphenyl)-2-fluorobenzene;1-(4-butylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;2-fluoro-1,4-bis(4-pentylphenyl)benzene;2-fluoro-4-(4-pentylphenyl)-1-(4-propylphenyl)benzene has a molecular weight of 2205.18 g/mol, XLogP of 48.24, 51 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-bis(4-butylphenyl)-2-fluorobenzene;1-(4-butylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;4-(4-butylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-(4-pentylphenyl)benzene;2-fluoro-1,4-bis(4-pentylphenyl)benzene;2-fluoro-4-(4-pentylphenyl)-1-(4-propylphenyl)benzene is sourced from PubChem (CID 167612803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).