1,2,4,5-tetrafluoro-3-(2,3,4,5,6-pentafluorophenyl)-6-[4-[4-[4-[4-[4-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]benzene

C60H24F18O6S — CID 58185868

IUPAC1,2,4,5-tetrafluoro-3-(2,3,4,5,6-pentafluorophenyl)-6-[4-[4-[4-[4-[4-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]benzene
SMILESO=S(=O)(c1ccc(Oc2ccc(-c3ccc(Oc4c(F)c(F)c(-c5c(F)c(F)c(F)c(F)c5F)c(F)c4F)cc3)cc2)cc1)c1ccc(Oc2ccc(-c3ccc(Oc4c(F)c(F)c(-c5c(F)c(F)c(F)c(F)c5F)c(F)c4F)cc3)cc2)cc1
InChIInChI=1S/C60H24F18O6S/c61-41-37(42(62)50(70)53(73)49(41)69)39-45(65)55(75)59(56(76)46(39)66)83-33-13-5-27(6-14-33)25-1-9-29(10-2-25)81-31-17-21-35(22-18-31)85(79,80)36-23-19-32(20-24-36)82-30-11-3-26(4-12-30)28-7-15-34(16-8-28)84-60-57(77)47(67)40(48(68)58(60)78)38-43(63)51(71)54(74)52(72)44(38)64/h1-24H
InChIKeyLFZFJTXNNFVKKC-UHFFFAOYSA-N
MW1214.88 g/mol
LogP18.86
Rot. Bonds14

About 1,2,4,5-tetrafluoro-3-(2,3,4,5,6-pentafluorophenyl)-6-[4-[4-[4-[4-[4-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]benzene

1,2,4,5-tetrafluoro-3-(2,3,4,5,6-pentafluorophenyl)-6-[4-[4-[4-[4-[4-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]benzene (PubChem CID 58185868) has the molecular formula C60H24F18O6S and a molecular weight of 1214.88 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-3-(2,3,4,5,6-pentafluorophenyl)-6-[4-[4-[4-[4-[4-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]benzene.

Molecular Properties

Compound Name1,2,4,5-tetrafluoro-3-(2,3,4,5,6-pentafluorophenyl)-6-[4-[4-[4-[4-[4-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]benzene
PubChem CID58185868
Molecular FormulaC60H24F18O6S
Molecular Weight1214.88 g/mol
Exact Mass1214.10
IUPAC Name1,2,4,5-tetrafluoro-3-(2,3,4,5,6-pentafluorophenyl)-6-[4-[4-[4-[4-[4-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]benzene
SMILESO=S(=O)(c1ccc(Oc2ccc(-c3ccc(Oc4c(F)c(F)c(-c5c(F)c(F)c(F)c(F)c5F)c(F)c4F)cc3)cc2)cc1)c1ccc(Oc2ccc(-c3ccc(Oc4c(F)c(F)c(-c5c(F)c(F)c(F)c(F)c5F)c(F)c4F)cc3)cc2)cc1
InChIInChI=1S/C60H24F18O6S/c61-41-37(42(62)50(70)53(73)49(41)69)39-45(65)55(75)59(56(76)46(39)66)83-33-13-5-27(6-14-33)25-1-9-29(10-2-25)81-31-17-21-35(22-18-31)85(79,80)36-23-19-32(20-24-36)82-30-11-3-26(4-12-30)28-7-15-34(16-8-28)84-60-57(77)47(67)40(48(68)58(60)78)38-43(63)51(71)54(74)52(72)44(38)64/h1-24H
InChIKeyLFZFJTXNNFVKKC-UHFFFAOYSA-N
XLogP18.86
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001214.88
LogP ≤ 518.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1,2,4,5-tetrafluoro-3-(2,3,4,5,6-pentafluorophenyl)-6-[4-[4-[4-[4-[4-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrafluoro-3-(2,3,4,5,6-pentafluorophenyl)-6-[4-[4-[4-[4-[4-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]benzene?
The IUPAC name of 1,2,4,5-tetrafluoro-3-(2,3,4,5,6-pentafluorophenyl)-6-[4-[4-[4-[4-[4-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]benzene (CID 58185868) is 1,2,4,5-tetrafluoro-3-(2,3,4,5,6-pentafluorophenyl)-6-[4-[4-[4-[4-[4-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]benzene.
What is the SMILES notation for 1,2,4,5-tetrafluoro-3-(2,3,4,5,6-pentafluorophenyl)-6-[4-[4-[4-[4-[4-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]benzene?
The canonical SMILES for 1,2,4,5-tetrafluoro-3-(2,3,4,5,6-pentafluorophenyl)-6-[4-[4-[4-[4-[4-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]benzene is O=S(=O)(c1ccc(Oc2ccc(-c3ccc(Oc4c(F)c(F)c(-c5c(F)c(F)c(F)c(F)c5F)c(F)c4F)cc3)cc2)cc1)c1ccc(Oc2ccc(-c3ccc(Oc4c(F)c(F)c(-c5c(F)c(F)c(F)c(F)c5F)c(F)c4F)cc3)cc2)cc1.
What is the InChIKey of 1,2,4,5-tetrafluoro-3-(2,3,4,5,6-pentafluorophenyl)-6-[4-[4-[4-[4-[4-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]benzene?
The InChIKey is LFZFJTXNNFVKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H24F18O6S/c61-41-37(42(62)50(70)53(73)49(41)69)39-45(65)55(75)59(56(76)46(39)66)83-33-13-5-27(6-14-33)25-1-9-29(10-2-25)81-31-17-21-35(22-18-31)85(79,80)36-23-19-32(20-24-36)82-30-11-3-26(4-12-30)28-7-15-34(16-8-28)84-60-57(77)47(67)40(48(68)58(60)78)38-43(63)51(71)54(74)52(72)44(38)64/h1-24H.
What are the key properties of 1,2,4,5-tetrafluoro-3-(2,3,4,5,6-pentafluorophenyl)-6-[4-[4-[4-[4-[4-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]benzene?
1,2,4,5-tetrafluoro-3-(2,3,4,5,6-pentafluorophenyl)-6-[4-[4-[4-[4-[4-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]benzene has a molecular weight of 1214.88 g/mol, XLogP of 18.86, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrafluoro-3-(2,3,4,5,6-pentafluorophenyl)-6-[4-[4-[4-[4-[4-[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenoxy]phenyl]phenoxy]phenyl]sulfonylphenoxy]phenyl]phenoxy]benzene is sourced from PubChem (CID 58185868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).