2,5-bis[5-[4-(3,5-difluorophenyl)phenyl]thiophen-2-yl]thiophene

C36H20F4S3 — CID 58320956

IUPAC2,5-bis[5-[4-(3,5-difluorophenyl)phenyl]thiophen-2-yl]thiophene
SMILESFc1cc(F)cc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7cc(F)cc(F)c7)cc6)s5)s4)s3)cc2)c1
InChIInChI=1S/C36H20F4S3/c37-27-15-25(16-28(38)19-27)21-1-5-23(6-2-21)31-9-11-33(41-31)35-13-14-36(43-35)34-12-10-32(42-34)24-7-3-22(4-8-24)26-17-29(39)20-30(40)18-26/h1-20H
InChIKeyPKTNIVSNMIZNOS-UHFFFAOYSA-N
MW624.75 g/mol
LogP12.43
Rot. Bonds6

About 2,5-bis[5-[4-(3,5-difluorophenyl)phenyl]thiophen-2-yl]thiophene

2,5-bis[5-[4-(3,5-difluorophenyl)phenyl]thiophen-2-yl]thiophene (PubChem CID 58320956) has the molecular formula C36H20F4S3 and a molecular weight of 624.75 g/mol. Its IUPAC name is 2,5-bis[5-[4-(3,5-difluorophenyl)phenyl]thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2,5-bis[5-[4-(3,5-difluorophenyl)phenyl]thiophen-2-yl]thiophene
PubChem CID58320956
Molecular FormulaC36H20F4S3
Molecular Weight624.75 g/mol
Exact Mass624.07
IUPAC Name2,5-bis[5-[4-(3,5-difluorophenyl)phenyl]thiophen-2-yl]thiophene
SMILESFc1cc(F)cc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7cc(F)cc(F)c7)cc6)s5)s4)s3)cc2)c1
InChIInChI=1S/C36H20F4S3/c37-27-15-25(16-28(38)19-27)21-1-5-23(6-2-21)31-9-11-33(41-31)35-13-14-36(43-35)34-12-10-32(42-34)24-7-3-22(4-8-24)26-17-29(39)20-30(40)18-26/h1-20H
InChIKeyPKTNIVSNMIZNOS-UHFFFAOYSA-N
XLogP12.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.75
LogP ≤ 512.43
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-(3,5-difluorophenyl)phenyl]thiophen-2-yl]thiophene?
The IUPAC name of 2,5-bis[5-[4-(3,5-difluorophenyl)phenyl]thiophen-2-yl]thiophene (CID 58320956) is 2,5-bis[5-[4-(3,5-difluorophenyl)phenyl]thiophen-2-yl]thiophene.
What is the SMILES notation for 2,5-bis[5-[4-(3,5-difluorophenyl)phenyl]thiophen-2-yl]thiophene?
The canonical SMILES for 2,5-bis[5-[4-(3,5-difluorophenyl)phenyl]thiophen-2-yl]thiophene is Fc1cc(F)cc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7cc(F)cc(F)c7)cc6)s5)s4)s3)cc2)c1.
What is the InChIKey of 2,5-bis[5-[4-(3,5-difluorophenyl)phenyl]thiophen-2-yl]thiophene?
The InChIKey is PKTNIVSNMIZNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20F4S3/c37-27-15-25(16-28(38)19-27)21-1-5-23(6-2-21)31-9-11-33(41-31)35-13-14-36(43-35)34-12-10-32(42-34)24-7-3-22(4-8-24)26-17-29(39)20-30(40)18-26/h1-20H.
What are the key properties of 2,5-bis[5-[4-(3,5-difluorophenyl)phenyl]thiophen-2-yl]thiophene?
2,5-bis[5-[4-(3,5-difluorophenyl)phenyl]thiophen-2-yl]thiophene has a molecular weight of 624.75 g/mol, XLogP of 12.43, 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-(3,5-difluorophenyl)phenyl]thiophen-2-yl]thiophene is sourced from PubChem (CID 58320956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).