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

C44H28F2S2 — CID 58320943

IUPAC2-[4-[4-(4-fluorophenyl)phenyl]phenyl]-5-[5-[4-[4-(4-fluorophenyl)phenyl]phenyl]thiophen-2-yl]thiophene
SMILESFc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8ccc(F)cc8)cc7)cc6)s5)s4)cc3)cc2)cc1
InChIInChI=1S/C44H28F2S2/c45-39-21-17-35(18-22-39)31-5-1-29(2-6-31)33-9-13-37(14-10-33)41-25-27-43(47-41)44-28-26-42(48-44)38-15-11-34(12-16-38)30-3-7-32(8-4-30)36-19-23-40(46)24-20-36/h1-28H
InChIKeyXBVHECGVVHCLCI-UHFFFAOYSA-N
MW658.84 g/mol
LogP13.76
Rot. Bonds7

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

2-[4-[4-(4-fluorophenyl)phenyl]phenyl]-5-[5-[4-[4-(4-fluorophenyl)phenyl]phenyl]thiophen-2-yl]thiophene (PubChem CID 58320943) has the molecular formula C44H28F2S2 and a molecular weight of 658.84 g/mol. Its IUPAC name is 2-[4-[4-(4-fluorophenyl)phenyl]phenyl]-5-[5-[4-[4-(4-fluorophenyl)phenyl]phenyl]thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2-[4-[4-(4-fluorophenyl)phenyl]phenyl]-5-[5-[4-[4-(4-fluorophenyl)phenyl]phenyl]thiophen-2-yl]thiophene
PubChem CID58320943
Molecular FormulaC44H28F2S2
Molecular Weight658.84 g/mol
Exact Mass658.16
IUPAC Name2-[4-[4-(4-fluorophenyl)phenyl]phenyl]-5-[5-[4-[4-(4-fluorophenyl)phenyl]phenyl]thiophen-2-yl]thiophene
SMILESFc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8ccc(F)cc8)cc7)cc6)s5)s4)cc3)cc2)cc1
InChIInChI=1S/C44H28F2S2/c45-39-21-17-35(18-22-39)31-5-1-29(2-6-31)33-9-13-37(14-10-33)41-25-27-43(47-41)44-28-26-42(48-44)38-15-11-34(12-16-38)30-3-7-32(8-4-30)36-19-23-40(46)24-20-36/h1-28H
InChIKeyXBVHECGVVHCLCI-UHFFFAOYSA-N
XLogP13.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500658.84
LogP ≤ 513.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-fluorophenyl)phenyl]phenyl]-5-[5-[4-[4-(4-fluorophenyl)phenyl]phenyl]thiophen-2-yl]thiophene?
The IUPAC name of 2-[4-[4-(4-fluorophenyl)phenyl]phenyl]-5-[5-[4-[4-(4-fluorophenyl)phenyl]phenyl]thiophen-2-yl]thiophene (CID 58320943) is 2-[4-[4-(4-fluorophenyl)phenyl]phenyl]-5-[5-[4-[4-(4-fluorophenyl)phenyl]phenyl]thiophen-2-yl]thiophene.
What is the SMILES notation for 2-[4-[4-(4-fluorophenyl)phenyl]phenyl]-5-[5-[4-[4-(4-fluorophenyl)phenyl]phenyl]thiophen-2-yl]thiophene?
The canonical SMILES for 2-[4-[4-(4-fluorophenyl)phenyl]phenyl]-5-[5-[4-[4-(4-fluorophenyl)phenyl]phenyl]thiophen-2-yl]thiophene is Fc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8ccc(F)cc8)cc7)cc6)s5)s4)cc3)cc2)cc1.
What is the InChIKey of 2-[4-[4-(4-fluorophenyl)phenyl]phenyl]-5-[5-[4-[4-(4-fluorophenyl)phenyl]phenyl]thiophen-2-yl]thiophene?
The InChIKey is XBVHECGVVHCLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28F2S2/c45-39-21-17-35(18-22-39)31-5-1-29(2-6-31)33-9-13-37(14-10-33)41-25-27-43(47-41)44-28-26-42(48-44)38-15-11-34(12-16-38)30-3-7-32(8-4-30)36-19-23-40(46)24-20-36/h1-28H.
What are the key properties of 2-[4-[4-(4-fluorophenyl)phenyl]phenyl]-5-[5-[4-[4-(4-fluorophenyl)phenyl]phenyl]thiophen-2-yl]thiophene?
2-[4-[4-(4-fluorophenyl)phenyl]phenyl]-5-[5-[4-[4-(4-fluorophenyl)phenyl]phenyl]thiophen-2-yl]thiophene has a molecular weight of 658.84 g/mol, XLogP of 13.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-fluorophenyl)phenyl]phenyl]-5-[5-[4-[4-(4-fluorophenyl)phenyl]phenyl]thiophen-2-yl]thiophene is sourced from PubChem (CID 58320943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).