1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylphenoxy]-2,5-bis[4-(trifluoromethyl)phenyl]phenoxy]phenyl]sulfanylbenzene

C44H10F24O2S2 — CID 59341633

IUPAC1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylphenoxy]-2,5-bis[4-(trifluoromethyl)phenyl]phenoxy]phenyl]sulfanylbenzene
SMILESFc1c(F)c(F)c(Sc2c(F)c(F)c(Oc3cc(-c4ccc(C(F)(F)F)cc4)c(Oc4c(F)c(F)c(Sc5c(F)c(F)c(F)c(F)c5F)c(F)c4F)cc3-c3ccc(C(F)(F)F)cc3)c(F)c2F)c(F)c1F
InChIInChI=1S/C44H10F24O2S2/c45-19-21(47)29(55)39(30(56)22(19)48)71-41-33(59)25(51)37(26(52)34(41)60)69-17-10-16(12-3-7-14(8-4-12)44(66,67)68)18(9-15(17)11-1-5-13(6-2-11)43(63,64)65)70-38-27(53)35(61)42(36(62)28(38)54)72-40-31(57)23(49)20(46)24(50)32(40)58/h1-10H
InChIKeyPHCVQMGXYADXGH-UHFFFAOYSA-N
MW1090.65 g/mol
LogP17.45
Rot. Bonds10

About 1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylphenoxy]-2,5-bis[4-(trifluoromethyl)phenyl]phenoxy]phenyl]sulfanylbenzene

1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylphenoxy]-2,5-bis[4-(trifluoromethyl)phenyl]phenoxy]phenyl]sulfanylbenzene (PubChem CID 59341633) has the molecular formula C44H10F24O2S2 and a molecular weight of 1090.65 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylphenoxy]-2,5-bis[4-(trifluoromethyl)phenyl]phenoxy]phenyl]sulfanylbenzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylphenoxy]-2,5-bis[4-(trifluoromethyl)phenyl]phenoxy]phenyl]sulfanylbenzene
PubChem CID59341633
Molecular FormulaC44H10F24O2S2
Molecular Weight1090.65 g/mol
Exact Mass1089.97
IUPAC Name1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylphenoxy]-2,5-bis[4-(trifluoromethyl)phenyl]phenoxy]phenyl]sulfanylbenzene
SMILESFc1c(F)c(F)c(Sc2c(F)c(F)c(Oc3cc(-c4ccc(C(F)(F)F)cc4)c(Oc4c(F)c(F)c(Sc5c(F)c(F)c(F)c(F)c5F)c(F)c4F)cc3-c3ccc(C(F)(F)F)cc3)c(F)c2F)c(F)c1F
InChIInChI=1S/C44H10F24O2S2/c45-19-21(47)29(55)39(30(56)22(19)48)71-41-33(59)25(51)37(26(52)34(41)60)69-17-10-16(12-3-7-14(8-4-12)44(66,67)68)18(9-15(17)11-1-5-13(6-2-11)43(63,64)65)70-38-27(53)35(61)42(36(62)28(38)54)72-40-31(57)23(49)20(46)24(50)32(40)58/h1-10H
InChIKeyPHCVQMGXYADXGH-UHFFFAOYSA-N
XLogP17.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001090.65
LogP ≤ 517.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylphenoxy]-2,5-bis[4-(trifluoromethyl)phenyl]phenoxy]phenyl]sulfanylbenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylphenoxy]-2,5-bis[4-(trifluoromethyl)phenyl]phenoxy]phenyl]sulfanylbenzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylphenoxy]-2,5-bis[4-(trifluoromethyl)phenyl]phenoxy]phenyl]sulfanylbenzene (CID 59341633) is 1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylphenoxy]-2,5-bis[4-(trifluoromethyl)phenyl]phenoxy]phenyl]sulfanylbenzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylphenoxy]-2,5-bis[4-(trifluoromethyl)phenyl]phenoxy]phenyl]sulfanylbenzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylphenoxy]-2,5-bis[4-(trifluoromethyl)phenyl]phenoxy]phenyl]sulfanylbenzene is Fc1c(F)c(F)c(Sc2c(F)c(F)c(Oc3cc(-c4ccc(C(F)(F)F)cc4)c(Oc4c(F)c(F)c(Sc5c(F)c(F)c(F)c(F)c5F)c(F)c4F)cc3-c3ccc(C(F)(F)F)cc3)c(F)c2F)c(F)c1F.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylphenoxy]-2,5-bis[4-(trifluoromethyl)phenyl]phenoxy]phenyl]sulfanylbenzene?
The InChIKey is PHCVQMGXYADXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H10F24O2S2/c45-19-21(47)29(55)39(30(56)22(19)48)71-41-33(59)25(51)37(26(52)34(41)60)69-17-10-16(12-3-7-14(8-4-12)44(66,67)68)18(9-15(17)11-1-5-13(6-2-11)43(63,64)65)70-38-27(53)35(61)42(36(62)28(38)54)72-40-31(57)23(49)20(46)24(50)32(40)58/h1-10H.
What are the key properties of 1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylphenoxy]-2,5-bis[4-(trifluoromethyl)phenyl]phenoxy]phenyl]sulfanylbenzene?
1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylphenoxy]-2,5-bis[4-(trifluoromethyl)phenyl]phenoxy]phenyl]sulfanylbenzene has a molecular weight of 1090.65 g/mol, XLogP of 17.45, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)sulfanylphenoxy]-2,5-bis[4-(trifluoromethyl)phenyl]phenoxy]phenyl]sulfanylbenzene is sourced from PubChem (CID 59341633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).