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

C38H38F4O — CID 140909217

IUPAC1,2,8,9-tetrafluoro-3-[4-(4-pentylphenyl)phenyl]-7-(4-propylcyclohexyl)dibenzofuran
SMILESCCCCCc1ccc(-c2ccc(-c3cc4oc5cc(C6CCC(CCC)CC6)c(F)c(F)c5c4c(F)c3F)cc2)cc1
InChIInChI=1S/C38H38F4O/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/h9-10,13-14,17-23,27H,3-8,11-12,15-16H2,1-2H3
InChIKeyAEUMLVWQZGXXRU-UHFFFAOYSA-N
MW586.71 g/mol
LogP12.28
Rot. Bonds9

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

1,2,8,9-tetrafluoro-3-[4-(4-pentylphenyl)phenyl]-7-(4-propylcyclohexyl)dibenzofuran (PubChem CID 140909217) has the molecular formula C38H38F4O and a molecular weight of 586.71 g/mol. Its IUPAC name is 1,2,8,9-tetrafluoro-3-[4-(4-pentylphenyl)phenyl]-7-(4-propylcyclohexyl)dibenzofuran.

Molecular Properties

Compound Name1,2,8,9-tetrafluoro-3-[4-(4-pentylphenyl)phenyl]-7-(4-propylcyclohexyl)dibenzofuran
PubChem CID140909217
Molecular FormulaC38H38F4O
Molecular Weight586.71 g/mol
Exact Mass586.29
IUPAC Name1,2,8,9-tetrafluoro-3-[4-(4-pentylphenyl)phenyl]-7-(4-propylcyclohexyl)dibenzofuran
SMILESCCCCCc1ccc(-c2ccc(-c3cc4oc5cc(C6CCC(CCC)CC6)c(F)c(F)c5c4c(F)c3F)cc2)cc1
InChIInChI=1S/C38H38F4O/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/h9-10,13-14,17-23,27H,3-8,11-12,15-16H2,1-2H3
InChIKeyAEUMLVWQZGXXRU-UHFFFAOYSA-N
XLogP12.28
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.71
LogP ≤ 512.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2,8,9-tetrafluoro-3-[4-(4-pentylphenyl)cyclohexyl]-7-(4-propylcyclohexyl)dibenzofuran
CID 140909314
2,3-difluoro-1-(4-propylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene
CID 129065276
2,3-difluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]benzene
CID 129065275
1-ethoxy-2,3-difluoro-4-(4-propylcyclohexyl)benzene;1-methyl-4-(4-pentylphenyl)benzene
CID 175392353
1-[4-(2,3-difluoro-4-octylphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 67730642
2,3-difluoro-1-(4-pentylcyclohexyl)-4-[4-[2-(3,4,5-trifluorophenyl)ethyl]phenyl]benzene
CID 118858890
1-nonyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 20539381
2,3-difluoro-1-[4-[3-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-hexylbenzene
CID 67730226
3-(4-butylphenyl)-1,2,8,9-tetrafluoro-7-pentoxydibenzofuran
CID 140909181
2,3-difluoro-1-(4-fluorophenyl)-4-(4-propylcyclohexyl)benzene
CID 118593483
2,3-difluoro-1-pentyl-4-(4-propylcyclohexyl)benzene
CID 19103585
3-(4-ethoxycyclohexyl)-1,2,8,9-tetrafluoro-7-pentyldibenzofuran
CID 140909303

Frequently Asked Questions

What is the IUPAC name of 1,2,8,9-tetrafluoro-3-[4-(4-pentylphenyl)phenyl]-7-(4-propylcyclohexyl)dibenzofuran?
The IUPAC name of 1,2,8,9-tetrafluoro-3-[4-(4-pentylphenyl)phenyl]-7-(4-propylcyclohexyl)dibenzofuran (CID 140909217) is 1,2,8,9-tetrafluoro-3-[4-(4-pentylphenyl)phenyl]-7-(4-propylcyclohexyl)dibenzofuran.
What is the SMILES notation for 1,2,8,9-tetrafluoro-3-[4-(4-pentylphenyl)phenyl]-7-(4-propylcyclohexyl)dibenzofuran?
The canonical SMILES for 1,2,8,9-tetrafluoro-3-[4-(4-pentylphenyl)phenyl]-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)phenyl]-7-(4-propylcyclohexyl)dibenzofuran?
The InChIKey is AEUMLVWQZGXXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38F4O/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/h9-10,13-14,17-23,27H,3-8,11-12,15-16H2,1-2H3.
What are the key properties of 1,2,8,9-tetrafluoro-3-[4-(4-pentylphenyl)phenyl]-7-(4-propylcyclohexyl)dibenzofuran?
1,2,8,9-tetrafluoro-3-[4-(4-pentylphenyl)phenyl]-7-(4-propylcyclohexyl)dibenzofuran has a molecular weight of 586.71 g/mol, XLogP of 12.28, 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)phenyl]-7-(4-propylcyclohexyl)dibenzofuran is sourced from PubChem (CID 140909217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).