2,5-bis(4-phenylphenyl)thiophene

C28H20S — CID 4286041

IUPAC2,5-bis(4-phenylphenyl)thiophene
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccccc5)cc4)s3)cc2)cc1
InChIInChI=1S/C28H20S/c1-3-7-21(8-4-1)23-11-15-25(16-12-23)27-19-20-28(29-27)26-17-13-24(14-18-26)22-9-5-2-6-10-22/h1-20H
InChIKeyWBSMVAWETYTHTA-UHFFFAOYSA-N
MW388.54 g/mol
LogP8.42
Rot. Bonds4

About 2,5-bis(4-phenylphenyl)thiophene

2,5-bis(4-phenylphenyl)thiophene (PubChem CID 4286041) has the molecular formula C28H20S and a molecular weight of 388.54 g/mol. Its IUPAC name is 2,5-bis(4-phenylphenyl)thiophene.

Molecular Properties

Compound Name2,5-bis(4-phenylphenyl)thiophene
PubChem CID4286041
Molecular FormulaC28H20S
Molecular Weight388.54 g/mol
Exact Mass388.13
IUPAC Name2,5-bis(4-phenylphenyl)thiophene
SMILESc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccccc5)cc4)s3)cc2)cc1
InChIInChI=1S/C28H20S/c1-3-7-21(8-4-1)23-11-15-25(16-12-23)27-19-20-28(29-27)26-17-13-24(14-18-26)22-9-5-2-6-10-22/h1-20H
InChIKeyWBSMVAWETYTHTA-UHFFFAOYSA-N
XLogP8.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.54
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-phenylphenyl)thiophene?
The IUPAC name of 2,5-bis(4-phenylphenyl)thiophene (CID 4286041) is 2,5-bis(4-phenylphenyl)thiophene.
What is the SMILES notation for 2,5-bis(4-phenylphenyl)thiophene?
The canonical SMILES for 2,5-bis(4-phenylphenyl)thiophene is c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccccc5)cc4)s3)cc2)cc1.
What is the InChIKey of 2,5-bis(4-phenylphenyl)thiophene?
The InChIKey is WBSMVAWETYTHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20S/c1-3-7-21(8-4-1)23-11-15-25(16-12-23)27-19-20-28(29-27)26-17-13-24(14-18-26)22-9-5-2-6-10-22/h1-20H.
What are the key properties of 2,5-bis(4-phenylphenyl)thiophene?
2,5-bis(4-phenylphenyl)thiophene has a molecular weight of 388.54 g/mol, XLogP of 8.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(4-phenylphenyl)thiophene is sourced from PubChem (CID 4286041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).