4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-(4-propylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene;2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(4-propylphenyl)benzene;molecular hydrogen

C94H119F3 — CID 158616323

About 4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-(4-propylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene;2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(4-propylphenyl)benzene;molecular hydrogen

4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-(4-propylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene;2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(4-propylphenyl)benzene;molecular hydrogen (PubChem CID 158616323) has the molecular formula C94H119F3 and a molecular weight of 1305.98 g/mol. Its IUPAC name is 4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-(4-propylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene;2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(4-propylphenyl)benzene;molecular hydrogen.

Molecular Properties

• Compound Name: 4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-(4-propylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene;2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(4-propylphenyl)benzene;molecular hydrogen
• PubChem CID: 158616323
• Molecular Formula: C94H119F3
• Molecular Weight: 1305.98 g/mol
• Exact Mass: 1304.93
• IUPAC Name: 4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-(4-propylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene;2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(4-propylphenyl)benzene;molecular hydrogen
• SMILES: CCCCC1CCC(c2ccc(-c3ccc(-c4ccc(CCC)cc4)c(F)c3)cc2)CC1.CCCCCC1CCC(c2ccc(-c3ccc(-c4ccc(CC)cc4)c(F)c3)cc2)CC1.CCCCCC1CCC(c2ccc(-c3ccc(-c4ccc(CCC)cc4)c(F)c3)cc2)CC1.[H][H].[H][H].[H][H]
• InChI: InChI=1S/C32H39F.2C31H37F.3H2/c1-3-5-6-8-25-9-13-26(14-10-25)27-17-19-28(20-18-27)30-21-22-31(32(33)23-30)29-15-11-24(7-4-2)12-16-29;1-3-5-6-7-24-10-12-25(13-11-24)26-16-18-27(19-17-26)29-20-21-30(31(32)22-29)28-14-8-23(4-2)9-15-28;1-3-5-7-24-8-12-25(13-9-24)26-16-18-27(19-17-26)29-20-21-30(31(32)22-29)28-14-10-23(6-4-2)11-15-28;;;/h11-12,15-23,25-26H,3-10,13-14H2,1-2H3;8-9,14-22,24-25H,3-7,10-13H2,1-2H3;10-11,14-22,24-25H,3-9,12-13H2,1-2H3;3*1H
• InChIKey: HXKWZBSERBERDV-UHFFFAOYSA-N
• XLogP: 29.86
• TPSA: 0.00 Ų
• Rotatable Bonds: 25
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1305.98
LogP ≤ 5	29.86
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 4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-(4-propylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene;2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(4-propylphenyl)benzene;molecular hydrogen?

The IUPAC name of 4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-(4-propylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene;2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(4-propylphenyl)benzene;molecular hydrogen (CID 158616323) is 4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-(4-propylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene;2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(4-propylphenyl)benzene;molecular hydrogen.

What is the SMILES notation for 4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-(4-propylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene;2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(4-propylphenyl)benzene;molecular hydrogen?

The canonical SMILES for 4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-(4-propylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene;2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(4-propylphenyl)benzene;molecular hydrogen is CCCCC1CCC(c2ccc(-c3ccc(-c4ccc(CCC)cc4)c(F)c3)cc2)CC1.CCCCCC1CCC(c2ccc(-c3ccc(-c4ccc(CC)cc4)c(F)c3)cc2)CC1.CCCCCC1CCC(c2ccc(-c3ccc(-c4ccc(CCC)cc4)c(F)c3)cc2)CC1.[H][H].[H][H].[H][H].

What is the InChIKey of 4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-(4-propylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene;2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(4-propylphenyl)benzene;molecular hydrogen?

The InChIKey is HXKWZBSERBERDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39F.2C31H37F.3H2/c1-3-5-6-8-25-9-13-26(14-10-25)27-17-19-28(20-18-27)30-21-22-31(32(33)23-30)29-15-11-24(7-4-2)12-16-29;1-3-5-6-7-24-10-12-25(13-11-24)26-16-18-27(19-17-26)29-20-21-30(31(32)22-29)28-14-8-23(4-2)9-15-28;1-3-5-7-24-8-12-25(13-9-24)26-16-18-27(19-17-26)29-20-21-30(31(32)22-29)28-14-10-23(6-4-2)11-15-28;;;/h11-12,15-23,25-26H,3-10,13-14H2,1-2H3;8-9,14-22,24-25H,3-7,10-13H2,1-2H3;10-11,14-22,24-25H,3-9,12-13H2,1-2H3;3*1H.

What are the key properties of 4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-(4-propylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene;2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(4-propylphenyl)benzene;molecular hydrogen?

4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-(4-propylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene;2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(4-propylphenyl)benzene;molecular hydrogen has a molecular weight of 1305.98 g/mol, XLogP of 29.86, 25 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(4-butylcyclohexyl)phenyl]-2-fluoro-1-(4-propylphenyl)benzene;1-(4-ethylphenyl)-2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene;2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(4-propylphenyl)benzene;molecular hydrogen is sourced from PubChem (CID 158616323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).