6-(4-tert-butylphenyl)-7-[2-[6-(4-tert-butylphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]furo[2,3-f][1,3]benzodioxole

C43H34F6O6 — CID 89484098

IUPAC6-(4-tert-butylphenyl)-7-[2-[6-(4-tert-butylphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]furo[2,3-f][1,3]benzodioxole
SMILESCC(C)(C)c1ccc(-c2oc3cc4c(cc3c2C2=C(c3c(-c5ccc(C(C)(C)C)cc5)oc5cc6c(cc35)OCO6)C(F)(F)C(F)(F)C2(F)F)OCO4)cc1
InChIInChI=1S/C43H34F6O6/c1-39(2,3)23-11-7-21(8-12-23)37-33(25-15-29-31(52-19-50-29)17-27(25)54-37)35-36(42(46,47)43(48,49)41(35,44)45)34-26-16-30-32(53-20-51-30)18-28(26)55-38(34)22-9-13-24(14-10-22)40(4,5)6/h7-18H,19-20H2,1-6H3
InChIKeyGPTPTFYOLBUDAQ-UHFFFAOYSA-N
MW760.73 g/mol
LogP12.40
Rot. Bonds4

About 6-(4-tert-butylphenyl)-7-[2-[6-(4-tert-butylphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]furo[2,3-f][1,3]benzodioxole

6-(4-tert-butylphenyl)-7-[2-[6-(4-tert-butylphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]furo[2,3-f][1,3]benzodioxole (PubChem CID 89484098) has the molecular formula C43H34F6O6 and a molecular weight of 760.73 g/mol. Its IUPAC name is 6-(4-tert-butylphenyl)-7-[2-[6-(4-tert-butylphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]furo[2,3-f][1,3]benzodioxole.

Molecular Properties

Compound Name6-(4-tert-butylphenyl)-7-[2-[6-(4-tert-butylphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]furo[2,3-f][1,3]benzodioxole
PubChem CID89484098
Molecular FormulaC43H34F6O6
Molecular Weight760.73 g/mol
Exact Mass760.23
IUPAC Name6-(4-tert-butylphenyl)-7-[2-[6-(4-tert-butylphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]furo[2,3-f][1,3]benzodioxole
SMILESCC(C)(C)c1ccc(-c2oc3cc4c(cc3c2C2=C(c3c(-c5ccc(C(C)(C)C)cc5)oc5cc6c(cc35)OCO6)C(F)(F)C(F)(F)C2(F)F)OCO4)cc1
InChIInChI=1S/C43H34F6O6/c1-39(2,3)23-11-7-21(8-12-23)37-33(25-15-29-31(52-19-50-29)17-27(25)54-37)35-36(42(46,47)43(48,49)41(35,44)45)34-26-16-30-32(53-20-51-30)18-28(26)55-38(34)22-9-13-24(14-10-22)40(4,5)6/h7-18H,19-20H2,1-6H3
InChIKeyGPTPTFYOLBUDAQ-UHFFFAOYSA-N
XLogP12.40
TPSA63.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.73
LogP ≤ 512.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(4-tert-butylphenyl)-7-[2-[6-(4-tert-butylphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]furo[2,3-f][1,3]benzodioxole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylphenyl)-7-[2-[6-(4-tert-butylphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]furo[2,3-f][1,3]benzodioxole?
The IUPAC name of 6-(4-tert-butylphenyl)-7-[2-[6-(4-tert-butylphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]furo[2,3-f][1,3]benzodioxole (CID 89484098) is 6-(4-tert-butylphenyl)-7-[2-[6-(4-tert-butylphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]furo[2,3-f][1,3]benzodioxole.
What is the SMILES notation for 6-(4-tert-butylphenyl)-7-[2-[6-(4-tert-butylphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]furo[2,3-f][1,3]benzodioxole?
The canonical SMILES for 6-(4-tert-butylphenyl)-7-[2-[6-(4-tert-butylphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]furo[2,3-f][1,3]benzodioxole is CC(C)(C)c1ccc(-c2oc3cc4c(cc3c2C2=C(c3c(-c5ccc(C(C)(C)C)cc5)oc5cc6c(cc35)OCO6)C(F)(F)C(F)(F)C2(F)F)OCO4)cc1.
What is the InChIKey of 6-(4-tert-butylphenyl)-7-[2-[6-(4-tert-butylphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]furo[2,3-f][1,3]benzodioxole?
The InChIKey is GPTPTFYOLBUDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H34F6O6/c1-39(2,3)23-11-7-21(8-12-23)37-33(25-15-29-31(52-19-50-29)17-27(25)54-37)35-36(42(46,47)43(48,49)41(35,44)45)34-26-16-30-32(53-20-51-30)18-28(26)55-38(34)22-9-13-24(14-10-22)40(4,5)6/h7-18H,19-20H2,1-6H3.
What are the key properties of 6-(4-tert-butylphenyl)-7-[2-[6-(4-tert-butylphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]furo[2,3-f][1,3]benzodioxole?
6-(4-tert-butylphenyl)-7-[2-[6-(4-tert-butylphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]furo[2,3-f][1,3]benzodioxole has a molecular weight of 760.73 g/mol, XLogP of 12.40, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylphenyl)-7-[2-[6-(4-tert-butylphenyl)furo[2,3-f][1,3]benzodioxol-7-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]furo[2,3-f][1,3]benzodioxole is sourced from PubChem (CID 89484098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).