1-[4-[4-[1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]ethyl]phenoxy]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluoro-4-methylbenzene

C69H32F26O9S2 — CID 59399905

IUPAC1-[4-[4-[1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]ethyl]phenoxy]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluoro-4-methylbenzene
SMILESC=Cc1c(F)c(F)c(Oc2ccc(C(C)(c3ccc(Oc4c(F)c(F)c(S(=O)(=O)c5c(F)c(F)c(C)c(F)c5F)c(F)c4F)cc3)c3ccc(Oc4c(F)c(F)c(S(=O)(=O)c5c(F)c(F)c(Oc6ccc(C(c7ccc(OC)cc7)(C(F)(F)F)C(F)(F)F)cc6)c(F)c5F)c(F)c4F)cc3)cc2)c(F)c1F
InChIInChI=1S/C69H32F26O9S2/c1-5-37-40(72)42(74)58(43(75)41(37)73)101-33-18-6-27(7-19-33)66(3,28-8-20-34(21-9-28)102-59-44(76)52(84)63(53(85)45(59)77)105(96,97)62-50(82)38(70)26(2)39(71)51(62)83)29-10-22-35(23-11-29)103-60-46(78)54(86)64(55(87)47(60)79)106(98,99)65-56(88)48(80)61(49(81)57(65)89)104-36-24-14-31(15-25-36)67(68(90,91)92,69(93,94)95)30-12-16-32(100-4)17-13-30/h5-25H,1H2,2-4H3
InChIKeyLSMVPYHVCFXNCJ-UHFFFAOYSA-N
MW1563.09 g/mol
LogP21.03
Rot. Bonds19

About 1-[4-[4-[1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]ethyl]phenoxy]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluoro-4-methylbenzene

1-[4-[4-[1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]ethyl]phenoxy]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluoro-4-methylbenzene (PubChem CID 59399905) has the molecular formula C69H32F26O9S2 and a molecular weight of 1563.09 g/mol. Its IUPAC name is 1-[4-[4-[1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]ethyl]phenoxy]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluoro-4-methylbenzene.

Molecular Properties

Compound Name1-[4-[4-[1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]ethyl]phenoxy]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluoro-4-methylbenzene
PubChem CID59399905
Molecular FormulaC69H32F26O9S2
Molecular Weight1563.09 g/mol
Exact Mass1562.11
IUPAC Name1-[4-[4-[1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]ethyl]phenoxy]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluoro-4-methylbenzene
SMILESC=Cc1c(F)c(F)c(Oc2ccc(C(C)(c3ccc(Oc4c(F)c(F)c(S(=O)(=O)c5c(F)c(F)c(C)c(F)c5F)c(F)c4F)cc3)c3ccc(Oc4c(F)c(F)c(S(=O)(=O)c5c(F)c(F)c(Oc6ccc(C(c7ccc(OC)cc7)(C(F)(F)F)C(F)(F)F)cc6)c(F)c5F)c(F)c4F)cc3)cc2)c(F)c1F
InChIInChI=1S/C69H32F26O9S2/c1-5-37-40(72)42(74)58(43(75)41(37)73)101-33-18-6-27(7-19-33)66(3,28-8-20-34(21-9-28)102-59-44(76)52(84)63(53(85)45(59)77)105(96,97)62-50(82)38(70)26(2)39(71)51(62)83)29-10-22-35(23-11-29)103-60-46(78)54(86)64(55(87)47(60)79)106(98,99)65-56(88)48(80)61(49(81)57(65)89)104-36-24-14-31(15-25-36)67(68(90,91)92,69(93,94)95)30-12-16-32(100-4)17-13-30/h5-25H,1H2,2-4H3
InChIKeyLSMVPYHVCFXNCJ-UHFFFAOYSA-N
XLogP21.03
TPSA114.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds19
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001563.09
LogP ≤ 521.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 1-[4-[4-[1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]ethyl]phenoxy]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluoro-4-methylbenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]ethyl]phenoxy]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluoro-4-methylbenzene?
The IUPAC name of 1-[4-[4-[1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]ethyl]phenoxy]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluoro-4-methylbenzene (CID 59399905) is 1-[4-[4-[1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]ethyl]phenoxy]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluoro-4-methylbenzene.
What is the SMILES notation for 1-[4-[4-[1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]ethyl]phenoxy]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluoro-4-methylbenzene?
The canonical SMILES for 1-[4-[4-[1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]ethyl]phenoxy]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluoro-4-methylbenzene is C=Cc1c(F)c(F)c(Oc2ccc(C(C)(c3ccc(Oc4c(F)c(F)c(S(=O)(=O)c5c(F)c(F)c(C)c(F)c5F)c(F)c4F)cc3)c3ccc(Oc4c(F)c(F)c(S(=O)(=O)c5c(F)c(F)c(Oc6ccc(C(c7ccc(OC)cc7)(C(F)(F)F)C(F)(F)F)cc6)c(F)c5F)c(F)c4F)cc3)cc2)c(F)c1F.
What is the InChIKey of 1-[4-[4-[1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]ethyl]phenoxy]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluoro-4-methylbenzene?
The InChIKey is LSMVPYHVCFXNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H32F26O9S2/c1-5-37-40(72)42(74)58(43(75)41(37)73)101-33-18-6-27(7-19-33)66(3,28-8-20-34(21-9-28)102-59-44(76)52(84)63(53(85)45(59)77)105(96,97)62-50(82)38(70)26(2)39(71)51(62)83)29-10-22-35(23-11-29)103-60-46(78)54(86)64(55(87)47(60)79)106(98,99)65-56(88)48(80)61(49(81)57(65)89)104-36-24-14-31(15-25-36)67(68(90,91)92,69(93,94)95)30-12-16-32(100-4)17-13-30/h5-25H,1H2,2-4H3.
What are the key properties of 1-[4-[4-[1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]ethyl]phenoxy]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluoro-4-methylbenzene?
1-[4-[4-[1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]ethyl]phenoxy]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluoro-4-methylbenzene has a molecular weight of 1563.09 g/mol, XLogP of 21.03, 19 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[1-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1-[4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]phenoxy]phenyl]sulfonylphenoxy]phenyl]ethyl]phenoxy]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluoro-4-methylbenzene is sourced from PubChem (CID 59399905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).