2-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenyl]-5-[5-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenyl]thiophen-2-yl]thiophene

C36H16F10S2 — CID 59171806

IUPAC2-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenyl]-5-[5-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenyl]thiophen-2-yl]thiophene
SMILESFc1c(F)c(F)c(/C=C/c2ccc(-c3ccc(-c4ccc(-c5ccc(/C=C/c6c(F)c(F)c(F)c(F)c6F)cc5)s4)s3)cc2)c(F)c1F
InChIInChI=1S/C36H16F10S2/c37-27-21(28(38)32(42)35(45)31(27)41)11-5-17-1-7-19(8-2-17)23-13-15-25(47-23)26-16-14-24(48-26)20-9-3-18(4-10-20)6-12-22-29(39)33(43)36(46)34(44)30(22)40/h1-16H/b11-5+,12-6+
InChIKeyWRVDHMSKQPHUGI-YDWXAUTNSA-N
MW702.64 g/mol
LogP12.54
Rot. Bonds7

About 2-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenyl]-5-[5-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenyl]thiophen-2-yl]thiophene

2-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenyl]-5-[5-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenyl]thiophen-2-yl]thiophene (PubChem CID 59171806) has the molecular formula C36H16F10S2 and a molecular weight of 702.64 g/mol. Its IUPAC name is 2-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenyl]-5-[5-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenyl]thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenyl]-5-[5-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenyl]thiophen-2-yl]thiophene
PubChem CID59171806
Molecular FormulaC36H16F10S2
Molecular Weight702.64 g/mol
Exact Mass702.05
IUPAC Name2-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenyl]-5-[5-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenyl]thiophen-2-yl]thiophene
SMILESFc1c(F)c(F)c(/C=C/c2ccc(-c3ccc(-c4ccc(-c5ccc(/C=C/c6c(F)c(F)c(F)c(F)c6F)cc5)s4)s3)cc2)c(F)c1F
InChIInChI=1S/C36H16F10S2/c37-27-21(28(38)32(42)35(45)31(27)41)11-5-17-1-7-19(8-2-17)23-13-15-25(47-23)26-16-14-24(48-26)20-9-3-18(4-10-20)6-12-22-29(39)33(43)36(46)34(44)30(22)40/h1-16H/b11-5+,12-6+
InChIKeyWRVDHMSKQPHUGI-YDWXAUTNSA-N
XLogP12.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.64
LogP ≤ 512.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenyl]-5-[5-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenyl]thiophen-2-yl]thiophene?
The IUPAC name of 2-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenyl]-5-[5-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenyl]thiophen-2-yl]thiophene (CID 59171806) is 2-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenyl]-5-[5-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenyl]thiophen-2-yl]thiophene.
What is the SMILES notation for 2-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenyl]-5-[5-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenyl]thiophen-2-yl]thiophene?
The canonical SMILES for 2-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenyl]-5-[5-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenyl]thiophen-2-yl]thiophene is Fc1c(F)c(F)c(/C=C/c2ccc(-c3ccc(-c4ccc(-c5ccc(/C=C/c6c(F)c(F)c(F)c(F)c6F)cc5)s4)s3)cc2)c(F)c1F.
What is the InChIKey of 2-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenyl]-5-[5-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenyl]thiophen-2-yl]thiophene?
The InChIKey is WRVDHMSKQPHUGI-YDWXAUTNSA-N. The full InChI is InChI=1S/C36H16F10S2/c37-27-21(28(38)32(42)35(45)31(27)41)11-5-17-1-7-19(8-2-17)23-13-15-25(47-23)26-16-14-24(48-26)20-9-3-18(4-10-20)6-12-22-29(39)33(43)36(46)34(44)30(22)40/h1-16H/b11-5+,12-6+.
What are the key properties of 2-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenyl]-5-[5-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenyl]thiophen-2-yl]thiophene?
2-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenyl]-5-[5-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenyl]thiophen-2-yl]thiophene has a molecular weight of 702.64 g/mol, XLogP of 12.54, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenyl]-5-[5-[4-[(E)-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]phenyl]thiophen-2-yl]thiophene is sourced from PubChem (CID 59171806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).