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

C36H36F4O — CID 140909243

IUPAC1,2,8,9-tetrafluoro-3-[2-(4-pentylphenyl)ethyl]-7-[2-(4-propylphenyl)ethyl]dibenzofuran
SMILESCCCCCc1ccc(CCc2cc3oc4cc(CCc5ccc(CCC)cc5)c(F)c(F)c4c3c(F)c2F)cc1
InChIInChI=1S/C36H36F4O/c1-3-5-6-8-24-11-15-26(16-12-24)18-20-28-22-30-32(36(40)34(28)38)31-29(41-30)21-27(33(37)35(31)39)19-17-25-13-9-23(7-4-2)10-14-25/h9-16,21-22H,3-8,17-20H2,1-2H3
InChIKeyCUAFWFOYESWQGF-UHFFFAOYSA-N
MW560.68 g/mol
LogP10.40
Rot. Bonds12

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

1,2,8,9-tetrafluoro-3-[2-(4-pentylphenyl)ethyl]-7-[2-(4-propylphenyl)ethyl]dibenzofuran (PubChem CID 140909243) has the molecular formula C36H36F4O and a molecular weight of 560.68 g/mol. Its IUPAC name is 1,2,8,9-tetrafluoro-3-[2-(4-pentylphenyl)ethyl]-7-[2-(4-propylphenyl)ethyl]dibenzofuran.

Molecular Properties

Compound Name1,2,8,9-tetrafluoro-3-[2-(4-pentylphenyl)ethyl]-7-[2-(4-propylphenyl)ethyl]dibenzofuran
PubChem CID140909243
Molecular FormulaC36H36F4O
Molecular Weight560.68 g/mol
Exact Mass560.27
IUPAC Name1,2,8,9-tetrafluoro-3-[2-(4-pentylphenyl)ethyl]-7-[2-(4-propylphenyl)ethyl]dibenzofuran
SMILESCCCCCc1ccc(CCc2cc3oc4cc(CCc5ccc(CCC)cc5)c(F)c(F)c4c3c(F)c2F)cc1
InChIInChI=1S/C36H36F4O/c1-3-5-6-8-24-11-15-26(16-12-24)18-20-28-22-30-32(36(40)34(28)38)31-29(41-30)21-27(33(37)35(31)39)19-17-25-13-9-23(7-4-2)10-14-25/h9-16,21-22H,3-8,17-20H2,1-2H3
InChIKeyCUAFWFOYESWQGF-UHFFFAOYSA-N
XLogP10.40
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.68
LogP ≤ 510.40
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-methoxy-7-pentyldibenzofuran
CID 140909159
2-fluoro-4-(4-heptylphenyl)-1-[2-(4-propylphenyl)ethyl]benzene
CID 19906984
1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene
CID 19906985
3-(4-butylphenyl)-1,2,8,9-tetrafluoro-7-pentoxydibenzofuran
CID 140909181
2,3-difluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene
CID 14495749
8-fluoro-3-methyl-7-[2-(4-undecylphenyl)ethyl]isochromen-1-one
CID 134190857
3-butyl-8-fluoro-7-[2-(4-pentylphenyl)ethyl]isochromen-1-one
CID 134190866
1,2,8,9-tetrafluoro-3-[4-(4-pentylphenyl)cyclohexyl]-7-(4-propylcyclohexyl)dibenzofuran
CID 140909314
3-(4-ethoxycyclohexyl)-1,2,8,9-tetrafluoro-7-pentyldibenzofuran
CID 140909303
1,2,8,9-tetrafluoro-3-[4-(4-pentylphenyl)phenyl]-7-(4-propylcyclohexyl)dibenzofuran
CID 140909217
1-fluoro-6-[2-(4-hexylphenyl)ethynyl]-2-[2-(4-propylphenyl)ethyl]naphthalene
CID 139876368
1,2,8-trifluoro-7-pentyl-3-(4-propylphenyl)naphthalene
CID 139861938

Frequently Asked Questions

What is the IUPAC name of 1,2,8,9-tetrafluoro-3-[2-(4-pentylphenyl)ethyl]-7-[2-(4-propylphenyl)ethyl]dibenzofuran?
The IUPAC name of 1,2,8,9-tetrafluoro-3-[2-(4-pentylphenyl)ethyl]-7-[2-(4-propylphenyl)ethyl]dibenzofuran (CID 140909243) is 1,2,8,9-tetrafluoro-3-[2-(4-pentylphenyl)ethyl]-7-[2-(4-propylphenyl)ethyl]dibenzofuran.
What is the SMILES notation for 1,2,8,9-tetrafluoro-3-[2-(4-pentylphenyl)ethyl]-7-[2-(4-propylphenyl)ethyl]dibenzofuran?
The canonical SMILES for 1,2,8,9-tetrafluoro-3-[2-(4-pentylphenyl)ethyl]-7-[2-(4-propylphenyl)ethyl]dibenzofuran is CCCCCc1ccc(CCc2cc3oc4cc(CCc5ccc(CCC)cc5)c(F)c(F)c4c3c(F)c2F)cc1.
What is the InChIKey of 1,2,8,9-tetrafluoro-3-[2-(4-pentylphenyl)ethyl]-7-[2-(4-propylphenyl)ethyl]dibenzofuran?
The InChIKey is CUAFWFOYESWQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36F4O/c1-3-5-6-8-24-11-15-26(16-12-24)18-20-28-22-30-32(36(40)34(28)38)31-29(41-30)21-27(33(37)35(31)39)19-17-25-13-9-23(7-4-2)10-14-25/h9-16,21-22H,3-8,17-20H2,1-2H3.
What are the key properties of 1,2,8,9-tetrafluoro-3-[2-(4-pentylphenyl)ethyl]-7-[2-(4-propylphenyl)ethyl]dibenzofuran?
1,2,8,9-tetrafluoro-3-[2-(4-pentylphenyl)ethyl]-7-[2-(4-propylphenyl)ethyl]dibenzofuran has a molecular weight of 560.68 g/mol, XLogP of 10.40, 12 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-[2-(4-pentylphenyl)ethyl]-7-[2-(4-propylphenyl)ethyl]dibenzofuran is sourced from PubChem (CID 140909243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).