2,5-bis[4-[4-(4-fluorophenyl)phenyl]phenyl]thieno[3,2-b]thiophene

C42H26F2S2 — CID 58320944

IUPAC2,5-bis[4-[4-(4-fluorophenyl)phenyl]phenyl]thieno[3,2-b]thiophene
SMILESFc1ccc(-c2ccc(-c3ccc(-c4cc5sc(-c6ccc(-c7ccc(-c8ccc(F)cc8)cc7)cc6)cc5s4)cc3)cc2)cc1
InChIInChI=1S/C42H26F2S2/c43-37-21-17-33(18-22-37)29-5-1-27(2-6-29)31-9-13-35(14-10-31)39-25-41-42(45-39)26-40(46-41)36-15-11-32(12-16-36)28-3-7-30(8-4-28)34-19-23-38(44)24-20-34/h1-26H
InChIKeyJOLRHZUZWGQLLC-UHFFFAOYSA-N
MW632.80 g/mol
LogP13.24
Rot. Bonds6

About 2,5-bis[4-[4-(4-fluorophenyl)phenyl]phenyl]thieno[3,2-b]thiophene

2,5-bis[4-[4-(4-fluorophenyl)phenyl]phenyl]thieno[3,2-b]thiophene (PubChem CID 58320944) has the molecular formula C42H26F2S2 and a molecular weight of 632.80 g/mol. Its IUPAC name is 2,5-bis[4-[4-(4-fluorophenyl)phenyl]phenyl]thieno[3,2-b]thiophene.

Molecular Properties

Compound Name2,5-bis[4-[4-(4-fluorophenyl)phenyl]phenyl]thieno[3,2-b]thiophene
PubChem CID58320944
Molecular FormulaC42H26F2S2
Molecular Weight632.80 g/mol
Exact Mass632.14
IUPAC Name2,5-bis[4-[4-(4-fluorophenyl)phenyl]phenyl]thieno[3,2-b]thiophene
SMILESFc1ccc(-c2ccc(-c3ccc(-c4cc5sc(-c6ccc(-c7ccc(-c8ccc(F)cc8)cc7)cc6)cc5s4)cc3)cc2)cc1
InChIInChI=1S/C42H26F2S2/c43-37-21-17-33(18-22-37)29-5-1-27(2-6-29)31-9-13-35(14-10-31)39-25-41-42(45-39)26-40(46-41)36-15-11-32(12-16-36)28-3-7-30(8-4-28)34-19-23-38(44)24-20-34/h1-26H
InChIKeyJOLRHZUZWGQLLC-UHFFFAOYSA-N
XLogP13.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.80
LogP ≤ 513.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis[4-[4-(4-fluorophenyl)phenyl]phenyl]thieno[3,2-b]thiophene?
The IUPAC name of 2,5-bis[4-[4-(4-fluorophenyl)phenyl]phenyl]thieno[3,2-b]thiophene (CID 58320944) is 2,5-bis[4-[4-(4-fluorophenyl)phenyl]phenyl]thieno[3,2-b]thiophene.
What is the SMILES notation for 2,5-bis[4-[4-(4-fluorophenyl)phenyl]phenyl]thieno[3,2-b]thiophene?
The canonical SMILES for 2,5-bis[4-[4-(4-fluorophenyl)phenyl]phenyl]thieno[3,2-b]thiophene is Fc1ccc(-c2ccc(-c3ccc(-c4cc5sc(-c6ccc(-c7ccc(-c8ccc(F)cc8)cc7)cc6)cc5s4)cc3)cc2)cc1.
What is the InChIKey of 2,5-bis[4-[4-(4-fluorophenyl)phenyl]phenyl]thieno[3,2-b]thiophene?
The InChIKey is JOLRHZUZWGQLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H26F2S2/c43-37-21-17-33(18-22-37)29-5-1-27(2-6-29)31-9-13-35(14-10-31)39-25-41-42(45-39)26-40(46-41)36-15-11-32(12-16-36)28-3-7-30(8-4-28)34-19-23-38(44)24-20-34/h1-26H.
What are the key properties of 2,5-bis[4-[4-(4-fluorophenyl)phenyl]phenyl]thieno[3,2-b]thiophene?
2,5-bis[4-[4-(4-fluorophenyl)phenyl]phenyl]thieno[3,2-b]thiophene has a molecular weight of 632.80 g/mol, XLogP of 13.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[4-[4-(4-fluorophenyl)phenyl]phenyl]thieno[3,2-b]thiophene is sourced from PubChem (CID 58320944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).