3-[3,5-bis(2-phenylthiophen-3-yl)phenyl]-2-phenylthiophene

C36H24S3 — CID 58130450

IUPAC3-[3,5-bis(2-phenylthiophen-3-yl)phenyl]-2-phenylthiophene
SMILESc1ccc(-c2sccc2-c2cc(-c3ccsc3-c3ccccc3)cc(-c3ccsc3-c3ccccc3)c2)cc1
InChIInChI=1S/C36H24S3/c1-4-10-25(11-5-1)34-31(16-19-37-34)28-22-29(32-17-20-38-35(32)26-12-6-2-7-13-26)24-30(23-28)33-18-21-39-36(33)27-14-8-3-9-15-27/h1-24H
InChIKeyPTLHWSWJRQBONL-UHFFFAOYSA-N
MW552.79 g/mol
LogP11.87
Rot. Bonds6

About 3-[3,5-bis(2-phenylthiophen-3-yl)phenyl]-2-phenylthiophene

3-[3,5-bis(2-phenylthiophen-3-yl)phenyl]-2-phenylthiophene (PubChem CID 58130450) has the molecular formula C36H24S3 and a molecular weight of 552.79 g/mol. Its IUPAC name is 3-[3,5-bis(2-phenylthiophen-3-yl)phenyl]-2-phenylthiophene.

Molecular Properties

Compound Name3-[3,5-bis(2-phenylthiophen-3-yl)phenyl]-2-phenylthiophene
PubChem CID58130450
Molecular FormulaC36H24S3
Molecular Weight552.79 g/mol
Exact Mass552.10
IUPAC Name3-[3,5-bis(2-phenylthiophen-3-yl)phenyl]-2-phenylthiophene
SMILESc1ccc(-c2sccc2-c2cc(-c3ccsc3-c3ccccc3)cc(-c3ccsc3-c3ccccc3)c2)cc1
InChIInChI=1S/C36H24S3/c1-4-10-25(11-5-1)34-31(16-19-37-34)28-22-29(32-17-20-38-35(32)26-12-6-2-7-13-26)24-30(23-28)33-18-21-39-36(33)27-14-8-3-9-15-27/h1-24H
InChIKeyPTLHWSWJRQBONL-UHFFFAOYSA-N
XLogP11.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.79
LogP ≤ 511.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-2-[4-(3-phenylthiophen-2-yl)phenyl]thiophene
CID 67533042
3-phenyl-2-(4-phenylphenyl)thiophene
CID 70178548
3-[3,5-bis(2-thiophen-3-ylthiophen-3-yl)phenyl]-2-thiophen-3-ylthiophene
CID 58130596
3-phenyl-2,5-bis(3-phenylthiophen-2-yl)thiophene
CID 101018673
2-iodo-3-phenyl-5-(3-phenylthiophen-2-yl)thiophene
CID 139840485
4,6-dichloro-2-(3-phenylthiophen-2-yl)pyrimidine
CID 151513214
3-(4-phenylphenyl)-2-(2-thiophen-2-ylthiophen-3-yl)thiophene
CID 175170754
2-phenyl-3-(2-phenylthiophen-3-yl)sulfanylthiophene
CID 54495685
3-phenyl-5-(3-phenylthiophen-2-yl)-2-(4-phenylthiophen-2-yl)thiophene
CID 10695949
6-methyl-5-phenylcyclopenta[b]thiophen-4-one
CID 15618706
6-(2-phenylthiophen-3-yl)-1H-pyrimidin-2-one
CID 68897115
3-methoxy-2-phenylthiophene
CID 19905010

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis(2-phenylthiophen-3-yl)phenyl]-2-phenylthiophene?
The IUPAC name of 3-[3,5-bis(2-phenylthiophen-3-yl)phenyl]-2-phenylthiophene (CID 58130450) is 3-[3,5-bis(2-phenylthiophen-3-yl)phenyl]-2-phenylthiophene.
What is the SMILES notation for 3-[3,5-bis(2-phenylthiophen-3-yl)phenyl]-2-phenylthiophene?
The canonical SMILES for 3-[3,5-bis(2-phenylthiophen-3-yl)phenyl]-2-phenylthiophene is c1ccc(-c2sccc2-c2cc(-c3ccsc3-c3ccccc3)cc(-c3ccsc3-c3ccccc3)c2)cc1.
What is the InChIKey of 3-[3,5-bis(2-phenylthiophen-3-yl)phenyl]-2-phenylthiophene?
The InChIKey is PTLHWSWJRQBONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24S3/c1-4-10-25(11-5-1)34-31(16-19-37-34)28-22-29(32-17-20-38-35(32)26-12-6-2-7-13-26)24-30(23-28)33-18-21-39-36(33)27-14-8-3-9-15-27/h1-24H.
What are the key properties of 3-[3,5-bis(2-phenylthiophen-3-yl)phenyl]-2-phenylthiophene?
3-[3,5-bis(2-phenylthiophen-3-yl)phenyl]-2-phenylthiophene has a molecular weight of 552.79 g/mol, XLogP of 11.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis(2-phenylthiophen-3-yl)phenyl]-2-phenylthiophene is sourced from PubChem (CID 58130450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).