2,3,5-triphenylthiophene

C22H16S — CID 11312986

IUPAC2,3,5-triphenylthiophene
SMILESc1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)s2)cc1
InChIInChI=1S/C22H16S/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)23-22(20)19-14-8-3-9-15-19/h1-16H
InChIKeyQIQRZPZOOFRYRL-UHFFFAOYSA-N
MW312.44 g/mol
LogP6.75
Rot. Bonds3

About 2,3,5-triphenylthiophene

2,3,5-triphenylthiophene (PubChem CID 11312986) has the molecular formula C22H16S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2,3,5-triphenylthiophene.

Molecular Properties

Compound Name2,3,5-triphenylthiophene
PubChem CID11312986
Molecular FormulaC22H16S
Molecular Weight312.44 g/mol
Exact Mass312.10
IUPAC Name2,3,5-triphenylthiophene
SMILESc1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)s2)cc1
InChIInChI=1S/C22H16S/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)23-22(20)19-14-8-3-9-15-19/h1-16H
InChIKeyQIQRZPZOOFRYRL-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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Related Compounds

Dibenzothiophene
CID 3023
3-Phenylthiophene
CID 75473
2-Phenylthiophene
CID 69999
2,5-Diphenylthiophene
CID 74050
1,3-Diphenylisobenzothiophene
CID 282476
Bbifsshxmkxrcb-uhfffaoysa-
CID 3562913
Tetraphenylthiophene
CID 74664
2,3-Diphenylthiophene
CID 2801736
2,5-Bis(4-fluorophenyl)thiophene
CID 5095810
3-Benzo[a]anthracen-12-ylthiophene
CID 4043484
1-Methyl-2-tritylsulfanylbenzene
CID 408597
2,5-Bis(4-(methylthio)phenyl)thiophene
CID 44408778

Frequently Asked Questions

What is the IUPAC name of 2,3,5-triphenylthiophene?
The IUPAC name of 2,3,5-triphenylthiophene (CID 11312986) is 2,3,5-triphenylthiophene.
What is the SMILES notation for 2,3,5-triphenylthiophene?
The canonical SMILES for 2,3,5-triphenylthiophene is c1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)s2)cc1.
What is the InChIKey of 2,3,5-triphenylthiophene?
The InChIKey is QIQRZPZOOFRYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16S/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)23-22(20)19-14-8-3-9-15-19/h1-16H.
What are the key properties of 2,3,5-triphenylthiophene?
2,3,5-triphenylthiophene 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 2,3,5-triphenylthiophene is sourced from PubChem (CID 11312986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).