2-(3,4-diphenylphenyl)thiophene

C22H16S — CID 150825396

IUPAC2-(3,4-diphenylphenyl)thiophene
SMILESc1ccc(-c2ccc(-c3cccs3)cc2-c2ccccc2)cc1
InChIInChI=1S/C22H16S/c1-3-8-17(9-4-1)20-14-13-19(22-12-7-15-23-22)16-21(20)18-10-5-2-6-11-18/h1-16H
InChIKeyKKUUTWIADKVHJB-UHFFFAOYSA-N
MW312.44 g/mol
LogP6.75
Rot. Bonds3

About 2-(3,4-diphenylphenyl)thiophene

2-(3,4-diphenylphenyl)thiophene (PubChem CID 150825396) has the molecular formula C22H16S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-(3,4-diphenylphenyl)thiophene.

Molecular Properties

Compound Name2-(3,4-diphenylphenyl)thiophene
PubChem CID150825396
Molecular FormulaC22H16S
Molecular Weight312.44 g/mol
Exact Mass312.10
IUPAC Name2-(3,4-diphenylphenyl)thiophene
SMILESc1ccc(-c2ccc(-c3cccs3)cc2-c2ccccc2)cc1
InChIInChI=1S/C22H16S/c1-3-8-17(9-4-1)20-14-13-19(22-12-7-15-23-22)16-21(20)18-10-5-2-6-11-18/h1-16H
InChIKeyKKUUTWIADKVHJB-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 2-(3,4-diphenylphenyl)thiophene?
The IUPAC name of 2-(3,4-diphenylphenyl)thiophene (CID 150825396) is 2-(3,4-diphenylphenyl)thiophene.
What is the SMILES notation for 2-(3,4-diphenylphenyl)thiophene?
The canonical SMILES for 2-(3,4-diphenylphenyl)thiophene is c1ccc(-c2ccc(-c3cccs3)cc2-c2ccccc2)cc1.
What is the InChIKey of 2-(3,4-diphenylphenyl)thiophene?
The InChIKey is KKUUTWIADKVHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16S/c1-3-8-17(9-4-1)20-14-13-19(22-12-7-15-23-22)16-21(20)18-10-5-2-6-11-18/h1-16H.
What are the key properties of 2-(3,4-diphenylphenyl)thiophene?
2-(3,4-diphenylphenyl)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 2-(3,4-diphenylphenyl)thiophene is sourced from PubChem (CID 150825396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).