3-phenyl-2-[4-(3-phenylthiophen-2-yl)phenyl]thiophene

C26H18S2 — CID 67533042

IUPAC3-phenyl-2-[4-(3-phenylthiophen-2-yl)phenyl]thiophene
SMILESc1ccc(-c2ccsc2-c2ccc(-c3sccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C26H18S2/c1-3-7-19(8-4-1)23-15-17-27-25(23)21-11-13-22(14-12-21)26-24(16-18-28-26)20-9-5-2-6-10-20/h1-18H
InChIKeyHSOXMJXCIOFZGO-UHFFFAOYSA-N
MW394.56 g/mol
LogP8.48
Rot. Bonds4

About 3-phenyl-2-[4-(3-phenylthiophen-2-yl)phenyl]thiophene

3-phenyl-2-[4-(3-phenylthiophen-2-yl)phenyl]thiophene (PubChem CID 67533042) has the molecular formula C26H18S2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 3-phenyl-2-[4-(3-phenylthiophen-2-yl)phenyl]thiophene.

Molecular Properties

Compound Name3-phenyl-2-[4-(3-phenylthiophen-2-yl)phenyl]thiophene
PubChem CID67533042
Molecular FormulaC26H18S2
Molecular Weight394.56 g/mol
Exact Mass394.08
IUPAC Name3-phenyl-2-[4-(3-phenylthiophen-2-yl)phenyl]thiophene
SMILESc1ccc(-c2ccsc2-c2ccc(-c3sccc3-c3ccccc3)cc2)cc1
InChIInChI=1S/C26H18S2/c1-3-7-19(8-4-1)23-15-17-27-25(23)21-11-13-22(14-12-21)26-24(16-18-28-26)20-9-5-2-6-10-20/h1-18H
InChIKeyHSOXMJXCIOFZGO-UHFFFAOYSA-N
XLogP8.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 58.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-2-(4-phenylphenyl)thiophene
CID 70178548
3-[3,5-bis(2-phenylthiophen-3-yl)phenyl]-2-phenylthiophene
CID 58130450
3-(4-phenylphenyl)-2-(2-thiophen-2-ylthiophen-3-yl)thiophene
CID 175170754
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
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
4,5-diphenyl-1,3-dithiol-1-ium perchlorate
CID 71357999
6-(2-phenylthiophen-3-yl)-1H-pyrimidin-2-one
CID 68897115
2-(3-fluorophenyl)-3-(4-phenylmethoxyphenyl)thiophene
CID 91474034

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[4-(3-phenylthiophen-2-yl)phenyl]thiophene?
The IUPAC name of 3-phenyl-2-[4-(3-phenylthiophen-2-yl)phenyl]thiophene (CID 67533042) is 3-phenyl-2-[4-(3-phenylthiophen-2-yl)phenyl]thiophene.
What is the SMILES notation for 3-phenyl-2-[4-(3-phenylthiophen-2-yl)phenyl]thiophene?
The canonical SMILES for 3-phenyl-2-[4-(3-phenylthiophen-2-yl)phenyl]thiophene is c1ccc(-c2ccsc2-c2ccc(-c3sccc3-c3ccccc3)cc2)cc1.
What is the InChIKey of 3-phenyl-2-[4-(3-phenylthiophen-2-yl)phenyl]thiophene?
The InChIKey is HSOXMJXCIOFZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18S2/c1-3-7-19(8-4-1)23-15-17-27-25(23)21-11-13-22(14-12-21)26-24(16-18-28-26)20-9-5-2-6-10-20/h1-18H.
What are the key properties of 3-phenyl-2-[4-(3-phenylthiophen-2-yl)phenyl]thiophene?
3-phenyl-2-[4-(3-phenylthiophen-2-yl)phenyl]thiophene has a molecular weight of 394.56 g/mol, XLogP of 8.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[4-(3-phenylthiophen-2-yl)phenyl]thiophene is sourced from PubChem (CID 67533042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).