3-[[2,4-difluoro-3-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]phenoxy]methyl]-1-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]-7-[3-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]naphthalen-1-yl]naphthalene

C90H69F23O10S3 — CID 123856326

IUPAC3-[[2,4-difluoro-3-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]phenoxy]methyl]-1-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]-7-[3-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]naphthalen-1-yl]naphthalene
SMILESO=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3cc(-c4ccc5cc(COc6ccc(F)c(COC(c7ccc(C8(S(=O)(=O)c9ccc(F)cc9)CCCC8)cc7)(C(F)(F)F)C(F)(F)F)c6F)cc(COC(c6ccc(C7(S(=O)(=O)c8ccc(F)cc8)CCCC7)cc6)(C(F)(F)F)C(F)(F)F)c5c4)c4ccccc4c3)(C(F)(F)F)C(F)(F)F)cc2)CCCC1
InChIInChI=1S/C90H69F23O10S3/c91-66-25-31-69(32-26-66)124(114,115)79(39-3-4-40-79)60-13-19-63(20-14-60)82(85(96,97)98,86(99,100)101)121-51-55-46-56-9-1-2-10-72(56)74(48-55)58-12-11-57-45-54(47-59(73(57)49-58)52-122-83(87(102,103)104,88(105,106)107)64-21-15-61(16-22-64)80(41-5-6-42-80)125(116,117)70-33-27-67(92)28-34-70)50-120-77-38-37-76(94)75(78(77)95)53-123-84(89(108,109)110,90(111,112)113)65-23-17-62(18-24-65)81(43-7-8-44-81)126(118,119)71-35-29-68(93)30-36-71/h1-2,9-38,45-49H,3-8,39-44,50-53H2
InChIKeyHHTHEWADKDMQMM-UHFFFAOYSA-N
MW1843.69 g/mol
LogP25.27
Rot. Bonds25

About 3-[[2,4-difluoro-3-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]phenoxy]methyl]-1-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]-7-[3-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]naphthalen-1-yl]naphthalene

3-[[2,4-difluoro-3-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]phenoxy]methyl]-1-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]-7-[3-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]naphthalen-1-yl]naphthalene (PubChem CID 123856326) has the molecular formula C90H69F23O10S3 and a molecular weight of 1843.69 g/mol. Its IUPAC name is 3-[[2,4-difluoro-3-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]phenoxy]methyl]-1-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]-7-[3-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]naphthalen-1-yl]naphthalene.

Molecular Properties

Compound Name3-[[2,4-difluoro-3-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]phenoxy]methyl]-1-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]-7-[3-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]naphthalen-1-yl]naphthalene
PubChem CID123856326
Molecular FormulaC90H69F23O10S3
Molecular Weight1843.69 g/mol
Exact Mass1842.37
IUPAC Name3-[[2,4-difluoro-3-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]phenoxy]methyl]-1-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]-7-[3-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]naphthalen-1-yl]naphthalene
SMILESO=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3cc(-c4ccc5cc(COc6ccc(F)c(COC(c7ccc(C8(S(=O)(=O)c9ccc(F)cc9)CCCC8)cc7)(C(F)(F)F)C(F)(F)F)c6F)cc(COC(c6ccc(C7(S(=O)(=O)c8ccc(F)cc8)CCCC7)cc6)(C(F)(F)F)C(F)(F)F)c5c4)c4ccccc4c3)(C(F)(F)F)C(F)(F)F)cc2)CCCC1
InChIInChI=1S/C90H69F23O10S3/c91-66-25-31-69(32-26-66)124(114,115)79(39-3-4-40-79)60-13-19-63(20-14-60)82(85(96,97)98,86(99,100)101)121-51-55-46-56-9-1-2-10-72(56)74(48-55)58-12-11-57-45-54(47-59(73(57)49-58)52-122-83(87(102,103)104,88(105,106)107)64-21-15-61(16-22-64)80(41-5-6-42-80)125(116,117)70-33-27-67(92)28-34-70)50-120-77-38-37-76(94)75(78(77)95)53-123-84(89(108,109)110,90(111,112)113)65-23-17-62(18-24-65)81(43-7-8-44-81)126(118,119)71-35-29-68(93)30-36-71/h1-2,9-38,45-49H,3-8,39-44,50-53H2
InChIKeyHHTHEWADKDMQMM-UHFFFAOYSA-N
XLogP25.27
TPSA139.34 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds25
Heavy Atoms126
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001843.69
LogP ≤ 525.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-[[2,4-difluoro-3-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]phenoxy]methyl]-1-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]-7-[3-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]naphthalen-1-yl]naphthalene with MolForge

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Related Compounds

[Bis[3-[(2-methylpropan-2-yl)oxy]phenyl]-[4-(phenanthren-9-ylmethoxy)phenyl]-lambda4-sulfanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 139785749
[[4-(Phenanthren-9-ylmethoxy)phenyl]-diphenyl-lambda4-sulfanyl] trifluoromethanesulfonate
CID 139785757
[Bis[4-(2-ethoxyethoxy)phenyl]-[4-(phenanthren-9-ylmethoxy)phenyl]-lambda4-sulfanyl] trifluoromethanesulfonate
CID 139785758
[Bis[3-[(2-methylpropan-2-yl)oxy]phenyl]-[4-(phenanthren-9-ylmethoxy)phenyl]-lambda4-sulfanyl] trifluoromethanesulfonate
CID 139785760
[Bis[4-(oxan-2-yloxy)phenyl]-[4-(phenanthren-9-ylmethoxy)phenyl]-lambda4-sulfanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 139785766
[Bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-[4-(phenanthren-9-ylmethoxy)phenyl]-lambda4-sulfanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 139785767
[Bis[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]-[4-(phenanthren-9-ylmethoxy)phenyl]-lambda4-sulfanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 139785771
[Bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-[4-(phenanthren-9-ylmethoxy)phenyl]-lambda4-sulfanyl] trifluoromethanesulfonate
CID 139785776
[Bis[4-(oxan-2-yloxy)phenyl]-[4-(phenanthren-9-ylmethoxy)phenyl]-lambda4-sulfanyl] trifluoromethanesulfonate
CID 139785778
[Bis[3,4-bis[(2-methylpropan-2-yl)oxy]phenyl]-[4-(phenanthren-9-ylmethoxy)phenyl]-lambda4-sulfanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 139785784
[[4-(Phenanthren-9-ylmethoxy)phenyl]-diphenyl-lambda4-sulfanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 139785802
[Bis[4-(2-ethoxyethoxy)phenyl]-[4-(phenanthren-9-ylmethoxy)phenyl]-lambda4-sulfanyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 139785810

Frequently Asked Questions

What is the IUPAC name of 3-[[2,4-difluoro-3-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]phenoxy]methyl]-1-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]-7-[3-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]naphthalen-1-yl]naphthalene?
The IUPAC name of 3-[[2,4-difluoro-3-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]phenoxy]methyl]-1-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]-7-[3-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]naphthalen-1-yl]naphthalene (CID 123856326) is 3-[[2,4-difluoro-3-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]phenoxy]methyl]-1-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]-7-[3-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]naphthalen-1-yl]naphthalene.
What is the SMILES notation for 3-[[2,4-difluoro-3-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]phenoxy]methyl]-1-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]-7-[3-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]naphthalen-1-yl]naphthalene?
The canonical SMILES for 3-[[2,4-difluoro-3-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]phenoxy]methyl]-1-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]-7-[3-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]naphthalen-1-yl]naphthalene is O=S(=O)(c1ccc(F)cc1)C1(c2ccc(C(OCc3cc(-c4ccc5cc(COc6ccc(F)c(COC(c7ccc(C8(S(=O)(=O)c9ccc(F)cc9)CCCC8)cc7)(C(F)(F)F)C(F)(F)F)c6F)cc(COC(c6ccc(C7(S(=O)(=O)c8ccc(F)cc8)CCCC7)cc6)(C(F)(F)F)C(F)(F)F)c5c4)c4ccccc4c3)(C(F)(F)F)C(F)(F)F)cc2)CCCC1.
What is the InChIKey of 3-[[2,4-difluoro-3-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]phenoxy]methyl]-1-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]-7-[3-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]naphthalen-1-yl]naphthalene?
The InChIKey is HHTHEWADKDMQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H69F23O10S3/c91-66-25-31-69(32-26-66)124(114,115)79(39-3-4-40-79)60-13-19-63(20-14-60)82(85(96,97)98,86(99,100)101)121-51-55-46-56-9-1-2-10-72(56)74(48-55)58-12-11-57-45-54(47-59(73(57)49-58)52-122-83(87(102,103)104,88(105,106)107)64-21-15-61(16-22-64)80(41-5-6-42-80)125(116,117)70-33-27-67(92)28-34-70)50-120-77-38-37-76(94)75(78(77)95)53-123-84(89(108,109)110,90(111,112)113)65-23-17-62(18-24-65)81(43-7-8-44-81)126(118,119)71-35-29-68(93)30-36-71/h1-2,9-38,45-49H,3-8,39-44,50-53H2.
What are the key properties of 3-[[2,4-difluoro-3-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]phenoxy]methyl]-1-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]-7-[3-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]naphthalen-1-yl]naphthalene?
3-[[2,4-difluoro-3-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]phenoxy]methyl]-1-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]-7-[3-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]naphthalen-1-yl]naphthalene has a molecular weight of 1843.69 g/mol, XLogP of 25.27, 25 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,4-difluoro-3-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]phenoxy]methyl]-1-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]-7-[3-[[1,1,1,3,3,3-hexafluoro-2-[4-[1-(4-fluorophenyl)sulfonylcyclopentyl]phenyl]propan-2-yl]oxymethyl]naphthalen-1-yl]naphthalene is sourced from PubChem (CID 123856326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).