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

C44H26F4S2 — CID 58320961

IUPAC2-[4-[4-(3,5-difluorophenyl)phenyl]phenyl]-5-[5-[4-[4-(3,5-difluorophenyl)phenyl]phenyl]thiophen-2-yl]thiophene
SMILESFc1cc(F)cc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8cc(F)cc(F)c8)cc7)cc6)s5)s4)cc3)cc2)c1
InChIInChI=1S/C44H26F4S2/c45-37-21-35(22-38(46)25-37)31-5-1-27(2-6-31)29-9-13-33(14-10-29)41-17-19-43(49-41)44-20-18-42(50-44)34-15-11-30(12-16-34)28-3-7-32(8-4-28)36-23-39(47)26-40(48)24-36/h1-26H
InChIKeyZSNMYOYSDHRAGW-UHFFFAOYSA-N
MW694.82 g/mol
LogP14.03
Rot. Bonds7

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

2-[4-[4-(3,5-difluorophenyl)phenyl]phenyl]-5-[5-[4-[4-(3,5-difluorophenyl)phenyl]phenyl]thiophen-2-yl]thiophene (PubChem CID 58320961) has the molecular formula C44H26F4S2 and a molecular weight of 694.82 g/mol. Its IUPAC name is 2-[4-[4-(3,5-difluorophenyl)phenyl]phenyl]-5-[5-[4-[4-(3,5-difluorophenyl)phenyl]phenyl]thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2-[4-[4-(3,5-difluorophenyl)phenyl]phenyl]-5-[5-[4-[4-(3,5-difluorophenyl)phenyl]phenyl]thiophen-2-yl]thiophene
PubChem CID58320961
Molecular FormulaC44H26F4S2
Molecular Weight694.82 g/mol
Exact Mass694.14
IUPAC Name2-[4-[4-(3,5-difluorophenyl)phenyl]phenyl]-5-[5-[4-[4-(3,5-difluorophenyl)phenyl]phenyl]thiophen-2-yl]thiophene
SMILESFc1cc(F)cc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8cc(F)cc(F)c8)cc7)cc6)s5)s4)cc3)cc2)c1
InChIInChI=1S/C44H26F4S2/c45-37-21-35(22-38(46)25-37)31-5-1-27(2-6-31)29-9-13-33(14-10-29)41-17-19-43(49-41)44-20-18-42(50-44)34-15-11-30(12-16-34)28-3-7-32(8-4-28)36-23-39(47)26-40(48)24-36/h1-26H
InChIKeyZSNMYOYSDHRAGW-UHFFFAOYSA-N
XLogP14.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.82
LogP ≤ 514.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(3,5-difluorophenyl)phenyl]phenyl]-5-[5-[4-[4-(3,5-difluorophenyl)phenyl]phenyl]thiophen-2-yl]thiophene?
The IUPAC name of 2-[4-[4-(3,5-difluorophenyl)phenyl]phenyl]-5-[5-[4-[4-(3,5-difluorophenyl)phenyl]phenyl]thiophen-2-yl]thiophene (CID 58320961) is 2-[4-[4-(3,5-difluorophenyl)phenyl]phenyl]-5-[5-[4-[4-(3,5-difluorophenyl)phenyl]phenyl]thiophen-2-yl]thiophene.
What is the SMILES notation for 2-[4-[4-(3,5-difluorophenyl)phenyl]phenyl]-5-[5-[4-[4-(3,5-difluorophenyl)phenyl]phenyl]thiophen-2-yl]thiophene?
The canonical SMILES for 2-[4-[4-(3,5-difluorophenyl)phenyl]phenyl]-5-[5-[4-[4-(3,5-difluorophenyl)phenyl]phenyl]thiophen-2-yl]thiophene is Fc1cc(F)cc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(-c8cc(F)cc(F)c8)cc7)cc6)s5)s4)cc3)cc2)c1.
What is the InChIKey of 2-[4-[4-(3,5-difluorophenyl)phenyl]phenyl]-5-[5-[4-[4-(3,5-difluorophenyl)phenyl]phenyl]thiophen-2-yl]thiophene?
The InChIKey is ZSNMYOYSDHRAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26F4S2/c45-37-21-35(22-38(46)25-37)31-5-1-27(2-6-31)29-9-13-33(14-10-29)41-17-19-43(49-41)44-20-18-42(50-44)34-15-11-30(12-16-34)28-3-7-32(8-4-28)36-23-39(47)26-40(48)24-36/h1-26H.
What are the key properties of 2-[4-[4-(3,5-difluorophenyl)phenyl]phenyl]-5-[5-[4-[4-(3,5-difluorophenyl)phenyl]phenyl]thiophen-2-yl]thiophene?
2-[4-[4-(3,5-difluorophenyl)phenyl]phenyl]-5-[5-[4-[4-(3,5-difluorophenyl)phenyl]phenyl]thiophen-2-yl]thiophene has a molecular weight of 694.82 g/mol, XLogP of 14.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(3,5-difluorophenyl)phenyl]phenyl]-5-[5-[4-[4-(3,5-difluorophenyl)phenyl]phenyl]thiophen-2-yl]thiophene is sourced from PubChem (CID 58320961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).