2-(2,3,4,5,6-pentafluorophenyl)-5-[5-[5-[5-(2,3,4,5,6-pentafluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene;2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-5-[5-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)thiophen-2-yl]thiophene

C56H18F18S8 — CID 158139496

IUPAC2-(2,3,4,5,6-pentafluorophenyl)-5-[5-[5-[5-(2,3,4,5,6-pentafluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene;2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-5-[5-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)thiophen-2-yl]thiophene
SMILESFc1c(F)c(-c2ccc(-c3ccc(-c4c(F)c(F)c(-c5cccs5)c(F)c4F)s3)s2)c(F)c(F)c1-c1cccs1.Fc1c(F)c(F)c(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6c(F)c(F)c(F)c(F)c6F)s5)s4)s3)s2)c(F)c1F
InChIInChI=1S/C28H8F10S4.C28H10F8S4/c29-19-17(20(30)24(34)27(37)23(19)33)15-7-5-13(41-15)11-3-1-9(39-11)10-2-4-12(40-10)14-6-8-16(42-14)18-21(31)25(35)28(38)26(36)22(18)32;29-21-17(13-3-1-9-37-13)22(30)26(34)19(25(21)33)15-7-5-11(39-15)12-6-8-16(40-12)20-27(35)23(31)18(24(32)28(20)36)14-4-2-10-38-14/h1-8H;1-10H
InChIKeyFTTMOGRBZKIUQJ-UHFFFAOYSA-N
MW1289.26 g/mol
LogP23.04
Rot. Bonds10

About 2-(2,3,4,5,6-pentafluorophenyl)-5-[5-[5-[5-(2,3,4,5,6-pentafluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene;2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-5-[5-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)thiophen-2-yl]thiophene

2-(2,3,4,5,6-pentafluorophenyl)-5-[5-[5-[5-(2,3,4,5,6-pentafluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene;2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-5-[5-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)thiophen-2-yl]thiophene (PubChem CID 158139496) has the molecular formula C56H18F18S8 and a molecular weight of 1289.26 g/mol. Its IUPAC name is 2-(2,3,4,5,6-pentafluorophenyl)-5-[5-[5-[5-(2,3,4,5,6-pentafluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene;2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-5-[5-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2-(2,3,4,5,6-pentafluorophenyl)-5-[5-[5-[5-(2,3,4,5,6-pentafluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene;2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-5-[5-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)thiophen-2-yl]thiophene
PubChem CID158139496
Molecular FormulaC56H18F18S8
Molecular Weight1289.26 g/mol
Exact Mass1287.89
IUPAC Name2-(2,3,4,5,6-pentafluorophenyl)-5-[5-[5-[5-(2,3,4,5,6-pentafluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene;2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-5-[5-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)thiophen-2-yl]thiophene
SMILESFc1c(F)c(-c2ccc(-c3ccc(-c4c(F)c(F)c(-c5cccs5)c(F)c4F)s3)s2)c(F)c(F)c1-c1cccs1.Fc1c(F)c(F)c(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6c(F)c(F)c(F)c(F)c6F)s5)s4)s3)s2)c(F)c1F
InChIInChI=1S/C28H8F10S4.C28H10F8S4/c29-19-17(20(30)24(34)27(37)23(19)33)15-7-5-13(41-15)11-3-1-9(39-11)10-2-4-12(40-10)14-6-8-16(42-14)18-21(31)25(35)28(38)26(36)22(18)32;29-21-17(13-3-1-9-37-13)22(30)26(34)19(25(21)33)15-7-5-11(39-15)12-6-8-16(40-12)20-27(35)23(31)18(24(32)28(20)36)14-4-2-10-38-14/h1-8H;1-10H
InChIKeyFTTMOGRBZKIUQJ-UHFFFAOYSA-N
XLogP23.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001289.26
LogP ≤ 523.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(2,3,4,5,6-pentafluorophenyl)-5-[5-[5-[5-(2,3,4,5,6-pentafluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene;2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-5-[5-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)thiophen-2-yl]thiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5,6-pentafluorophenyl)-5-[5-[5-[5-(2,3,4,5,6-pentafluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene;2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-5-[5-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)thiophen-2-yl]thiophene?
The IUPAC name of 2-(2,3,4,5,6-pentafluorophenyl)-5-[5-[5-[5-(2,3,4,5,6-pentafluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene;2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-5-[5-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)thiophen-2-yl]thiophene (CID 158139496) is 2-(2,3,4,5,6-pentafluorophenyl)-5-[5-[5-[5-(2,3,4,5,6-pentafluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene;2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-5-[5-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)thiophen-2-yl]thiophene.
What is the SMILES notation for 2-(2,3,4,5,6-pentafluorophenyl)-5-[5-[5-[5-(2,3,4,5,6-pentafluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene;2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-5-[5-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)thiophen-2-yl]thiophene?
The canonical SMILES for 2-(2,3,4,5,6-pentafluorophenyl)-5-[5-[5-[5-(2,3,4,5,6-pentafluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene;2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-5-[5-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)thiophen-2-yl]thiophene is Fc1c(F)c(-c2ccc(-c3ccc(-c4c(F)c(F)c(-c5cccs5)c(F)c4F)s3)s2)c(F)c(F)c1-c1cccs1.Fc1c(F)c(F)c(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6c(F)c(F)c(F)c(F)c6F)s5)s4)s3)s2)c(F)c1F.
What is the InChIKey of 2-(2,3,4,5,6-pentafluorophenyl)-5-[5-[5-[5-(2,3,4,5,6-pentafluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene;2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-5-[5-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)thiophen-2-yl]thiophene?
The InChIKey is FTTMOGRBZKIUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H8F10S4.C28H10F8S4/c29-19-17(20(30)24(34)27(37)23(19)33)15-7-5-13(41-15)11-3-1-9(39-11)10-2-4-12(40-10)14-6-8-16(42-14)18-21(31)25(35)28(38)26(36)22(18)32;29-21-17(13-3-1-9-37-13)22(30)26(34)19(25(21)33)15-7-5-11(39-15)12-6-8-16(40-12)20-27(35)23(31)18(24(32)28(20)36)14-4-2-10-38-14/h1-8H;1-10H.
What are the key properties of 2-(2,3,4,5,6-pentafluorophenyl)-5-[5-[5-[5-(2,3,4,5,6-pentafluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene;2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-5-[5-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)thiophen-2-yl]thiophene?
2-(2,3,4,5,6-pentafluorophenyl)-5-[5-[5-[5-(2,3,4,5,6-pentafluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene;2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-5-[5-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)thiophen-2-yl]thiophene has a molecular weight of 1289.26 g/mol, XLogP of 23.04, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5,6-pentafluorophenyl)-5-[5-[5-[5-(2,3,4,5,6-pentafluorophenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene;2-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)-5-[5-(2,3,5,6-tetrafluoro-4-thiophen-2-ylphenyl)thiophen-2-yl]thiophene is sourced from PubChem (CID 158139496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).