1-[4-[1-[4-[1,1-bis[4-[1,1-bis[4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]phenyl]ethyl]phenyl]ethyl]phenyl]-1-[4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]phenyl]ethyl]phenoxy]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene

C104H48F42O6 — CID 155045911

IUPAC1-[4-[1-[4-[1,1-bis[4-[1,1-bis[4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]phenyl]ethyl]phenyl]ethyl]phenyl]-1-[4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]phenyl]ethyl]phenoxy]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
SMILESCC(c1ccc(Oc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc1)(c1ccc(Oc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc1)c1ccc(C(C)(c2ccc(C(C)(c3ccc(Oc4c(F)c(F)c(C(F)(F)F)c(F)c4F)cc3)c3ccc(Oc4c(F)c(F)c(C(F)(F)F)c(F)c4F)cc3)cc2)c2ccc(C(C)(c3ccc(Oc4c(F)c(F)c(C(F)(F)F)c(F)c4F)cc3)c3ccc(Oc4c(F)c(F)c(C(F)(F)F)c(F)c4F)cc3)cc2)cc1
InChIInChI=1S/C104H48F42O6/c1-95(41-5-11-44(12-6-41)96(2,47-17-29-53(30-18-47)147-89-77(117)65(105)59(99(129,130)131)66(106)78(89)118)48-19-31-54(32-20-48)148-90-79(119)67(107)60(100(132,133)134)68(108)80(90)120,42-7-13-45(14-8-42)97(3,49-21-33-55(34-22-49)149-91-81(121)69(109)61(101(135,136)137)70(110)82(91)122)50-23-35-56(36-24-50)150-92-83(123)71(111)62(102(138,139)140)72(112)84(92)124)43-9-15-46(16-10-43)98(4,51-25-37-57(38-26-51)151-93-85(125)73(113)63(103(141,142)143)74(114)86(93)126)52-27-39-58(40-28-52)152-94-87(127)75(115)64(104(144,145)146)76(116)88(94)128/h5-40H,1-4H3
InChIKeyYHNSVKAXJRXHLC-UHFFFAOYSA-N
MW2191.44 g/mol
LogP35.31
Rot. Bonds24

About 1-[4-[1-[4-[1,1-bis[4-[1,1-bis[4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]phenyl]ethyl]phenyl]ethyl]phenyl]-1-[4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]phenyl]ethyl]phenoxy]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene

1-[4-[1-[4-[1,1-bis[4-[1,1-bis[4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]phenyl]ethyl]phenyl]ethyl]phenyl]-1-[4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]phenyl]ethyl]phenoxy]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene (PubChem CID 155045911) has the molecular formula C104H48F42O6 and a molecular weight of 2191.44 g/mol. Its IUPAC name is 1-[4-[1-[4-[1,1-bis[4-[1,1-bis[4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]phenyl]ethyl]phenyl]ethyl]phenyl]-1-[4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]phenyl]ethyl]phenoxy]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[4-[1-[4-[1,1-bis[4-[1,1-bis[4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]phenyl]ethyl]phenyl]ethyl]phenyl]-1-[4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]phenyl]ethyl]phenoxy]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
PubChem CID155045911
Molecular FormulaC104H48F42O6
Molecular Weight2191.44 g/mol
Exact Mass2190.28
IUPAC Name1-[4-[1-[4-[1,1-bis[4-[1,1-bis[4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]phenyl]ethyl]phenyl]ethyl]phenyl]-1-[4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]phenyl]ethyl]phenoxy]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
SMILESCC(c1ccc(Oc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc1)(c1ccc(Oc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc1)c1ccc(C(C)(c2ccc(C(C)(c3ccc(Oc4c(F)c(F)c(C(F)(F)F)c(F)c4F)cc3)c3ccc(Oc4c(F)c(F)c(C(F)(F)F)c(F)c4F)cc3)cc2)c2ccc(C(C)(c3ccc(Oc4c(F)c(F)c(C(F)(F)F)c(F)c4F)cc3)c3ccc(Oc4c(F)c(F)c(C(F)(F)F)c(F)c4F)cc3)cc2)cc1
InChIInChI=1S/C104H48F42O6/c1-95(41-5-11-44(12-6-41)96(2,47-17-29-53(30-18-47)147-89-77(117)65(105)59(99(129,130)131)66(106)78(89)118)48-19-31-54(32-20-48)148-90-79(119)67(107)60(100(132,133)134)68(108)80(90)120,42-7-13-45(14-8-42)97(3,49-21-33-55(34-22-49)149-91-81(121)69(109)61(101(135,136)137)70(110)82(91)122)50-23-35-56(36-24-50)150-92-83(123)71(111)62(102(138,139)140)72(112)84(92)124)43-9-15-46(16-10-43)98(4,51-25-37-57(38-26-51)151-93-85(125)73(113)63(103(141,142)143)74(114)86(93)126)52-27-39-58(40-28-52)152-94-87(127)75(115)64(104(144,145)146)76(116)88(94)128/h5-40H,1-4H3
InChIKeyYHNSVKAXJRXHLC-UHFFFAOYSA-N
XLogP35.31
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms152
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002191.44
LogP ≤ 535.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[4-[1-[4-[1,1-bis[4-[1,1-bis[4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]phenyl]ethyl]phenyl]ethyl]phenyl]-1-[4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]phenyl]ethyl]phenoxy]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[4-[1,1-bis[4-[1,1-bis[4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]phenyl]ethyl]phenyl]ethyl]phenyl]-1-[4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]phenyl]ethyl]phenoxy]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[4-[1-[4-[1,1-bis[4-[1,1-bis[4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]phenyl]ethyl]phenyl]ethyl]phenyl]-1-[4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]phenyl]ethyl]phenoxy]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene (CID 155045911) is 1-[4-[1-[4-[1,1-bis[4-[1,1-bis[4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]phenyl]ethyl]phenyl]ethyl]phenyl]-1-[4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]phenyl]ethyl]phenoxy]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[4-[1-[4-[1,1-bis[4-[1,1-bis[4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]phenyl]ethyl]phenyl]ethyl]phenyl]-1-[4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]phenyl]ethyl]phenoxy]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[4-[1-[4-[1,1-bis[4-[1,1-bis[4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]phenyl]ethyl]phenyl]ethyl]phenyl]-1-[4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]phenyl]ethyl]phenoxy]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene is CC(c1ccc(Oc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc1)(c1ccc(Oc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc1)c1ccc(C(C)(c2ccc(C(C)(c3ccc(Oc4c(F)c(F)c(C(F)(F)F)c(F)c4F)cc3)c3ccc(Oc4c(F)c(F)c(C(F)(F)F)c(F)c4F)cc3)cc2)c2ccc(C(C)(c3ccc(Oc4c(F)c(F)c(C(F)(F)F)c(F)c4F)cc3)c3ccc(Oc4c(F)c(F)c(C(F)(F)F)c(F)c4F)cc3)cc2)cc1.
What is the InChIKey of 1-[4-[1-[4-[1,1-bis[4-[1,1-bis[4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]phenyl]ethyl]phenyl]ethyl]phenyl]-1-[4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]phenyl]ethyl]phenoxy]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene?
The InChIKey is YHNSVKAXJRXHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C104H48F42O6/c1-95(41-5-11-44(12-6-41)96(2,47-17-29-53(30-18-47)147-89-77(117)65(105)59(99(129,130)131)66(106)78(89)118)48-19-31-54(32-20-48)148-90-79(119)67(107)60(100(132,133)134)68(108)80(90)120,42-7-13-45(14-8-42)97(3,49-21-33-55(34-22-49)149-91-81(121)69(109)61(101(135,136)137)70(110)82(91)122)50-23-35-56(36-24-50)150-92-83(123)71(111)62(102(138,139)140)72(112)84(92)124)43-9-15-46(16-10-43)98(4,51-25-37-57(38-26-51)151-93-85(125)73(113)63(103(141,142)143)74(114)86(93)126)52-27-39-58(40-28-52)152-94-87(127)75(115)64(104(144,145)146)76(116)88(94)128/h5-40H,1-4H3.
What are the key properties of 1-[4-[1-[4-[1,1-bis[4-[1,1-bis[4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]phenyl]ethyl]phenyl]ethyl]phenyl]-1-[4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]phenyl]ethyl]phenoxy]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene?
1-[4-[1-[4-[1,1-bis[4-[1,1-bis[4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]phenyl]ethyl]phenyl]ethyl]phenyl]-1-[4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]phenyl]ethyl]phenoxy]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene has a molecular weight of 2191.44 g/mol, XLogP of 35.31, 24 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-[4-[1,1-bis[4-[1,1-bis[4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]phenyl]ethyl]phenyl]ethyl]phenyl]-1-[4-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenoxy]phenyl]ethyl]phenoxy]-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene is sourced from PubChem (CID 155045911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).