1,2,8,9-tetrafluoro-3-[4-(4-pentylphenyl)cyclohexyl]-7-(4-propylcyclohexyl)dibenzofuran

C38H44F4O — CID 140909314

IUPAC1,2,8,9-tetrafluoro-3-[4-(4-pentylphenyl)cyclohexyl]-7-(4-propylcyclohexyl)dibenzofuran
SMILESCCCCCc1ccc(C2CCC(c3cc4oc5cc(C6CCC(CCC)CC6)c(F)c(F)c5c4c(F)c3F)CC2)cc1
InChIInChI=1S/C38H44F4O/c1-3-5-6-8-24-9-13-25(14-10-24)26-17-19-28(20-18-26)30-22-32-34(38(42)36(30)40)33-31(43-32)21-29(35(39)37(33)41)27-15-11-23(7-4-2)12-16-27/h9-10,13-14,21-23,26-28H,3-8,11-12,15-20H2,1-2H3
InChIKeyHTCSNRZASFYTLW-UHFFFAOYSA-N
MW592.76 g/mol
LogP12.39
Rot. Bonds9

About 1,2,8,9-tetrafluoro-3-[4-(4-pentylphenyl)cyclohexyl]-7-(4-propylcyclohexyl)dibenzofuran

1,2,8,9-tetrafluoro-3-[4-(4-pentylphenyl)cyclohexyl]-7-(4-propylcyclohexyl)dibenzofuran (PubChem CID 140909314) has the molecular formula C38H44F4O and a molecular weight of 592.76 g/mol. Its IUPAC name is 1,2,8,9-tetrafluoro-3-[4-(4-pentylphenyl)cyclohexyl]-7-(4-propylcyclohexyl)dibenzofuran.

Molecular Properties

Compound Name1,2,8,9-tetrafluoro-3-[4-(4-pentylphenyl)cyclohexyl]-7-(4-propylcyclohexyl)dibenzofuran
PubChem CID140909314
Molecular FormulaC38H44F4O
Molecular Weight592.76 g/mol
Exact Mass592.33
IUPAC Name1,2,8,9-tetrafluoro-3-[4-(4-pentylphenyl)cyclohexyl]-7-(4-propylcyclohexyl)dibenzofuran
SMILESCCCCCc1ccc(C2CCC(c3cc4oc5cc(C6CCC(CCC)CC6)c(F)c(F)c5c4c(F)c3F)CC2)cc1
InChIInChI=1S/C38H44F4O/c1-3-5-6-8-24-9-13-25(14-10-24)26-17-19-28(20-18-26)30-22-32-34(38(42)36(30)40)33-31(43-32)21-29(35(39)37(33)41)27-15-11-23(7-4-2)12-16-27/h9-10,13-14,21-23,26-28H,3-8,11-12,15-20H2,1-2H3
InChIKeyHTCSNRZASFYTLW-UHFFFAOYSA-N
XLogP12.39
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.76
LogP ≤ 512.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,2,8,9-tetrafluoro-3-[4-(4-pentylphenyl)cyclohexyl]-7-(4-propylcyclohexyl)dibenzofuran with MolForge

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Related Compounds

1,2,8,9-tetrafluoro-3-[4-(4-pentylphenyl)phenyl]-7-(4-propylcyclohexyl)dibenzofuran
CID 140909217
1-nonyl-4-(4-propylcyclohexyl)benzene
CID 20683431
1-nonyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 20539381
1-pentyl-4-[4-(4-propylcyclohexyl)phenoxy]benzene
CID 20677014
1-pentyl-4-[4-[3-(4-propylcyclohexyl)propoxy]cyclohexyl]benzene
CID 19739235
1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15606766
1-(4-ethylcyclohexyl)-4-pentylbenzene
CID 20683439
1-nonyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 22008062
1-dodecyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539025
1-hexyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20539243
1-hexyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539240
1-hexyl-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20539325

Frequently Asked Questions

What is the IUPAC name of 1,2,8,9-tetrafluoro-3-[4-(4-pentylphenyl)cyclohexyl]-7-(4-propylcyclohexyl)dibenzofuran?
The IUPAC name of 1,2,8,9-tetrafluoro-3-[4-(4-pentylphenyl)cyclohexyl]-7-(4-propylcyclohexyl)dibenzofuran (CID 140909314) is 1,2,8,9-tetrafluoro-3-[4-(4-pentylphenyl)cyclohexyl]-7-(4-propylcyclohexyl)dibenzofuran.
What is the SMILES notation for 1,2,8,9-tetrafluoro-3-[4-(4-pentylphenyl)cyclohexyl]-7-(4-propylcyclohexyl)dibenzofuran?
The canonical SMILES for 1,2,8,9-tetrafluoro-3-[4-(4-pentylphenyl)cyclohexyl]-7-(4-propylcyclohexyl)dibenzofuran is CCCCCc1ccc(C2CCC(c3cc4oc5cc(C6CCC(CCC)CC6)c(F)c(F)c5c4c(F)c3F)CC2)cc1.
What is the InChIKey of 1,2,8,9-tetrafluoro-3-[4-(4-pentylphenyl)cyclohexyl]-7-(4-propylcyclohexyl)dibenzofuran?
The InChIKey is HTCSNRZASFYTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H44F4O/c1-3-5-6-8-24-9-13-25(14-10-24)26-17-19-28(20-18-26)30-22-32-34(38(42)36(30)40)33-31(43-32)21-29(35(39)37(33)41)27-15-11-23(7-4-2)12-16-27/h9-10,13-14,21-23,26-28H,3-8,11-12,15-20H2,1-2H3.
What are the key properties of 1,2,8,9-tetrafluoro-3-[4-(4-pentylphenyl)cyclohexyl]-7-(4-propylcyclohexyl)dibenzofuran?
1,2,8,9-tetrafluoro-3-[4-(4-pentylphenyl)cyclohexyl]-7-(4-propylcyclohexyl)dibenzofuran has a molecular weight of 592.76 g/mol, XLogP of 12.39, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,8,9-tetrafluoro-3-[4-(4-pentylphenyl)cyclohexyl]-7-(4-propylcyclohexyl)dibenzofuran is sourced from PubChem (CID 140909314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).