2,5-bis[5-[4-(4-fluorophenyl)phenyl]thiophen-2-yl]thiophene

C36H22F2S3 — CID 58320954

IUPAC2,5-bis[5-[4-(4-fluorophenyl)phenyl]thiophen-2-yl]thiophene
SMILESFc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(F)cc7)cc6)s5)s4)s3)cc2)cc1
InChIInChI=1S/C36H22F2S3/c37-29-13-9-25(10-14-29)23-1-5-27(6-2-23)31-17-19-33(39-31)35-21-22-36(41-35)34-20-18-32(40-34)28-7-3-24(4-8-28)26-11-15-30(38)16-12-26/h1-22H
InChIKeyCADNYBCMIYTTPU-UHFFFAOYSA-N
MW588.77 g/mol
LogP12.15
Rot. Bonds6

About 2,5-bis[5-[4-(4-fluorophenyl)phenyl]thiophen-2-yl]thiophene

2,5-bis[5-[4-(4-fluorophenyl)phenyl]thiophen-2-yl]thiophene (PubChem CID 58320954) has the molecular formula C36H22F2S3 and a molecular weight of 588.77 g/mol. Its IUPAC name is 2,5-bis[5-[4-(4-fluorophenyl)phenyl]thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2,5-bis[5-[4-(4-fluorophenyl)phenyl]thiophen-2-yl]thiophene
PubChem CID58320954
Molecular FormulaC36H22F2S3
Molecular Weight588.77 g/mol
Exact Mass588.09
IUPAC Name2,5-bis[5-[4-(4-fluorophenyl)phenyl]thiophen-2-yl]thiophene
SMILESFc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(F)cc7)cc6)s5)s4)s3)cc2)cc1
InChIInChI=1S/C36H22F2S3/c37-29-13-9-25(10-14-29)23-1-5-27(6-2-23)31-17-19-33(39-31)35-21-22-36(41-35)34-20-18-32(40-34)28-7-3-24(4-8-28)26-11-15-30(38)16-12-26/h1-22H
InChIKeyCADNYBCMIYTTPU-UHFFFAOYSA-N
XLogP12.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.77
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis[5-[4-(4-fluorophenyl)phenyl]thiophen-2-yl]thiophene?
The IUPAC name of 2,5-bis[5-[4-(4-fluorophenyl)phenyl]thiophen-2-yl]thiophene (CID 58320954) is 2,5-bis[5-[4-(4-fluorophenyl)phenyl]thiophen-2-yl]thiophene.
What is the SMILES notation for 2,5-bis[5-[4-(4-fluorophenyl)phenyl]thiophen-2-yl]thiophene?
The canonical SMILES for 2,5-bis[5-[4-(4-fluorophenyl)phenyl]thiophen-2-yl]thiophene is Fc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(F)cc7)cc6)s5)s4)s3)cc2)cc1.
What is the InChIKey of 2,5-bis[5-[4-(4-fluorophenyl)phenyl]thiophen-2-yl]thiophene?
The InChIKey is CADNYBCMIYTTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22F2S3/c37-29-13-9-25(10-14-29)23-1-5-27(6-2-23)31-17-19-33(39-31)35-21-22-36(41-35)34-20-18-32(40-34)28-7-3-24(4-8-28)26-11-15-30(38)16-12-26/h1-22H.
What are the key properties of 2,5-bis[5-[4-(4-fluorophenyl)phenyl]thiophen-2-yl]thiophene?
2,5-bis[5-[4-(4-fluorophenyl)phenyl]thiophen-2-yl]thiophene has a molecular weight of 588.77 g/mol, XLogP of 12.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[5-[4-(4-fluorophenyl)phenyl]thiophen-2-yl]thiophene is sourced from PubChem (CID 58320954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).