3-[4-(4-phenylphenyl)phenyl]thiophene

C22H16S — CID 102231125

IUPAC3-[4-(4-phenylphenyl)phenyl]thiophene
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccsc4)cc3)cc2)cc1
InChIInChI=1S/C22H16S/c1-2-4-17(5-3-1)18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-15-23-16-22/h1-16H
InChIKeyIVWYTZMAADQNPC-UHFFFAOYSA-N
MW312.44 g/mol
LogP6.75
Rot. Bonds3

About 3-[4-(4-phenylphenyl)phenyl]thiophene

3-[4-(4-phenylphenyl)phenyl]thiophene (PubChem CID 102231125) has the molecular formula C22H16S and a molecular weight of 312.44 g/mol. Its IUPAC name is 3-[4-(4-phenylphenyl)phenyl]thiophene.

Molecular Properties

Compound Name3-[4-(4-phenylphenyl)phenyl]thiophene
PubChem CID102231125
Molecular FormulaC22H16S
Molecular Weight312.44 g/mol
Exact Mass312.10
IUPAC Name3-[4-(4-phenylphenyl)phenyl]thiophene
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccsc4)cc3)cc2)cc1
InChIInChI=1S/C22H16S/c1-2-4-17(5-3-1)18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-15-23-16-22/h1-16H
InChIKeyIVWYTZMAADQNPC-UHFFFAOYSA-N
XLogP6.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.44
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-phenylphenyl)phenyl]thiophene?
The IUPAC name of 3-[4-(4-phenylphenyl)phenyl]thiophene (CID 102231125) is 3-[4-(4-phenylphenyl)phenyl]thiophene.
What is the SMILES notation for 3-[4-(4-phenylphenyl)phenyl]thiophene?
The canonical SMILES for 3-[4-(4-phenylphenyl)phenyl]thiophene is c1ccc(-c2ccc(-c3ccc(-c4ccsc4)cc3)cc2)cc1.
What is the InChIKey of 3-[4-(4-phenylphenyl)phenyl]thiophene?
The InChIKey is IVWYTZMAADQNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16S/c1-2-4-17(5-3-1)18-6-8-19(9-7-18)20-10-12-21(13-11-20)22-14-15-23-16-22/h1-16H.
What are the key properties of 3-[4-(4-phenylphenyl)phenyl]thiophene?
3-[4-(4-phenylphenyl)phenyl]thiophene has a molecular weight of 312.44 g/mol, XLogP of 6.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-phenylphenyl)phenyl]thiophene is sourced from PubChem (CID 102231125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).