2-cyclobutyl-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-cyclobutyl-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-cyclohexyl-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-cyclohexyl-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-(cyclopenten-1-yl)-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-(cyclopenten-1-yl)-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-cyclopentyl-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-cyclopentyl-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene

C232H196F8O4 — CID 157479635

About 2-cyclobutyl-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-cyclobutyl-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-cyclohexyl-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-cyclohexyl-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-(cyclopenten-1-yl)-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-(cyclopenten-1-yl)-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-cyclopentyl-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-cyclopentyl-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene

2-cyclobutyl-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-cyclobutyl-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-cyclohexyl-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-cyclohexyl-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-(cyclopenten-1-yl)-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-(cyclopenten-1-yl)-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-cyclopentyl-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-cyclopentyl-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene (PubChem CID 157479635) has the molecular formula C232H196F8O4 and a molecular weight of 3200.10 g/mol. Its IUPAC name is 2-cyclobutyl-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-cyclobutyl-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-cyclohexyl-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-cyclohexyl-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-(cyclopenten-1-yl)-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-(cyclopenten-1-yl)-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-cyclopentyl-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-cyclopentyl-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene.

Molecular Properties

• Compound Name: 2-cyclobutyl-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-cyclobutyl-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-cyclohexyl-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-cyclohexyl-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-(cyclopenten-1-yl)-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-(cyclopenten-1-yl)-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-cyclopentyl-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-cyclopentyl-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene
• PubChem CID: 157479635
• Molecular Formula: C232H196F8O4
• Molecular Weight: 3200.10 g/mol
• Exact Mass: 3197.50
• IUPAC Name: 2-cyclobutyl-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-cyclobutyl-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-cyclohexyl-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-cyclohexyl-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-(cyclopenten-1-yl)-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-(cyclopenten-1-yl)-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-cyclopentyl-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-cyclopentyl-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene
• SMILES: COc1ccc(C#Cc2ccc(C#Cc3ccc(C)cc3)c(F)c2C2=CCCC2)cc1.COc1ccc(C#Cc2ccc(C#Cc3ccc(C)cc3)c(F)c2C2CCC2)cc1.COc1ccc(C#Cc2ccc(C#Cc3ccc(C)cc3)c(F)c2C2CCCC2)cc1.COc1ccc(C#Cc2ccc(C#Cc3ccc(C)cc3)c(F)c2C2CCCCC2)cc1.Cc1ccc(C#Cc2ccc(C#Cc3ccc(C)cc3)c(C3=CCCC3)c2F)cc1.Cc1ccc(C#Cc2ccc(C#Cc3ccc(C)cc3)c(C3CCC3)c2F)cc1.Cc1ccc(C#Cc2ccc(C#Cc3ccc(C)cc3)c(C3CCCC3)c2F)cc1.Cc1ccc(C#Cc2ccc(C#Cc3ccc(C)cc3)c(C3CCCCC3)c2F)cc1
• InChI: InChI=1S/C30H27FO.C30H27F.C29H25FO.C29H23FO.C29H25F.C29H23F.C28H23FO.C28H23F/c1-22-8-10-23(11-9-22)13-17-27-19-18-26(16-12-24-14-20-28(32-2)21-15-24)29(30(27)31)25-6-4-3-5-7-25;1-22-8-12-24(13-9-22)16-18-27-20-21-28(19-17-25-14-10-23(2)11-15-25)30(31)29(27)26-6-4-3-5-7-26;2*1-21-7-9-22(10-8-21)12-16-26-18-17-25(28(29(26)30)24-5-3-4-6-24)15-11-23-13-19-27(31-2)20-14-23;2*1-21-7-11-23(12-8-21)15-17-26-19-20-27(18-16-24-13-9-22(2)10-14-24)29(30)28(26)25-5-3-4-6-25;1-20-6-8-21(9-7-20)11-15-25-17-16-24(27(28(25)29)23-4-3-5-23)14-10-22-12-18-26(30-2)19-13-22;1-20-6-10-22(11-7-20)14-16-25-18-19-26(28(29)27(25)24-4-3-5-24)17-15-23-12-8-21(2)9-13-23/h8-11,14-15,18-21,25H,3-7H2,1-2H3;8-15,20-21,26H,3-7H2,1-2H3;7-10,13-14,17-20,24H,3-6H2,1-2H3;5,7-10,13-14,17-20H,3-4,6H2,1-2H3;7-14,19-20,25H,3-6H2,1-2H3;5,7-14,19-20H,3-4,6H2,1-2H3;6-9,12-13,16-19,23H,3-5H2,1-2H3;6-13,18-19,24H,3-5H2,1-2H3
• InChIKey: BVZZQYZSKAVUGG-UHFFFAOYSA-N
• XLogP: 53.82
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 244
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3200.10
LogP ≤ 5	53.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-cyclobutyl-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-cyclohexyl-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-cyclohexyl-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-(cyclopenten-1-yl)-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-(cyclopenten-1-yl)-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-cyclopentyl-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-cyclopentyl-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene?

The IUPAC name of 2-cyclobutyl-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-cyclobutyl-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-cyclohexyl-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-cyclohexyl-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-(cyclopenten-1-yl)-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-(cyclopenten-1-yl)-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-cyclopentyl-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-cyclopentyl-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene (CID 157479635) is 2-cyclobutyl-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-cyclobutyl-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-cyclohexyl-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-cyclohexyl-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-(cyclopenten-1-yl)-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-(cyclopenten-1-yl)-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-cyclopentyl-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-cyclopentyl-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene.

What is the SMILES notation for 2-cyclobutyl-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-cyclobutyl-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-cyclohexyl-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-cyclohexyl-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-(cyclopenten-1-yl)-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-(cyclopenten-1-yl)-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-cyclopentyl-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-cyclopentyl-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene?

The canonical SMILES for 2-cyclobutyl-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-cyclobutyl-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-cyclohexyl-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-cyclohexyl-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-(cyclopenten-1-yl)-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-(cyclopenten-1-yl)-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-cyclopentyl-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-cyclopentyl-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene is COc1ccc(C#Cc2ccc(C#Cc3ccc(C)cc3)c(F)c2C2=CCCC2)cc1.COc1ccc(C#Cc2ccc(C#Cc3ccc(C)cc3)c(F)c2C2CCC2)cc1.COc1ccc(C#Cc2ccc(C#Cc3ccc(C)cc3)c(F)c2C2CCCC2)cc1.COc1ccc(C#Cc2ccc(C#Cc3ccc(C)cc3)c(F)c2C2CCCCC2)cc1.Cc1ccc(C#Cc2ccc(C#Cc3ccc(C)cc3)c(C3=CCCC3)c2F)cc1.Cc1ccc(C#Cc2ccc(C#Cc3ccc(C)cc3)c(C3CCC3)c2F)cc1.Cc1ccc(C#Cc2ccc(C#Cc3ccc(C)cc3)c(C3CCCC3)c2F)cc1.Cc1ccc(C#Cc2ccc(C#Cc3ccc(C)cc3)c(C3CCCCC3)c2F)cc1.

What is the InChIKey of 2-cyclobutyl-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-cyclobutyl-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-cyclohexyl-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-cyclohexyl-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-(cyclopenten-1-yl)-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-(cyclopenten-1-yl)-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-cyclopentyl-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-cyclopentyl-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene?

The InChIKey is BVZZQYZSKAVUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27FO.C30H27F.C29H25FO.C29H23FO.C29H25F.C29H23F.C28H23FO.C28H23F/c1-22-8-10-23(11-9-22)13-17-27-19-18-26(16-12-24-14-20-28(32-2)21-15-24)29(30(27)31)25-6-4-3-5-7-25;1-22-8-12-24(13-9-22)16-18-27-20-21-28(19-17-25-14-10-23(2)11-15-25)30(31)29(27)26-6-4-3-5-7-26;2*1-21-7-9-22(10-8-21)12-16-26-18-17-25(28(29(26)30)24-5-3-4-6-24)15-11-23-13-19-27(31-2)20-14-23;2*1-21-7-11-23(12-8-21)15-17-26-19-20-27(18-16-24-13-9-22(2)10-14-24)29(30)28(26)25-5-3-4-6-25;1-20-6-8-21(9-7-20)11-15-25-17-16-24(27(28(25)29)23-4-3-5-23)14-10-22-12-18-26(30-2)19-13-22;1-20-6-10-22(11-7-20)14-16-25-18-19-26(28(29)27(25)24-4-3-5-24)17-15-23-12-8-21(2)9-13-23/h8-11,14-15,18-21,25H,3-7H2,1-2H3;8-15,20-21,26H,3-7H2,1-2H3;7-10,13-14,17-20,24H,3-6H2,1-2H3;5,7-10,13-14,17-20H,3-4,6H2,1-2H3;7-14,19-20,25H,3-6H2,1-2H3;5,7-14,19-20H,3-4,6H2,1-2H3;6-9,12-13,16-19,23H,3-5H2,1-2H3;6-13,18-19,24H,3-5H2,1-2H3.

What are the key properties of 2-cyclobutyl-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-cyclobutyl-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-cyclohexyl-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-cyclohexyl-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-(cyclopenten-1-yl)-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-(cyclopenten-1-yl)-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-cyclopentyl-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-cyclopentyl-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene?

2-cyclobutyl-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-cyclobutyl-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-cyclohexyl-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-cyclohexyl-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-(cyclopenten-1-yl)-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-(cyclopenten-1-yl)-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-cyclopentyl-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-cyclopentyl-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene has a molecular weight of 3200.10 g/mol, XLogP of 53.82, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclobutyl-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-cyclobutyl-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-cyclohexyl-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-cyclohexyl-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-(cyclopenten-1-yl)-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-(cyclopenten-1-yl)-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene;2-cyclopentyl-3-fluoro-1,4-bis[2-(4-methylphenyl)ethynyl]benzene;2-cyclopentyl-3-fluoro-1-[2-(4-methoxyphenyl)ethynyl]-4-[2-(4-methylphenyl)ethynyl]benzene is sourced from PubChem (CID 157479635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).