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

C26H18S2 — CID 118927379

IUPAC4-phenyl-2-[3-(4-phenylthiophen-2-yl)phenyl]thiophene
SMILESc1ccc(-c2csc(-c3cccc(-c4cc(-c5ccccc5)cs4)c3)c2)cc1
InChIInChI=1S/C26H18S2/c1-3-8-19(9-4-1)23-15-25(27-17-23)21-12-7-13-22(14-21)26-16-24(18-28-26)20-10-5-2-6-11-20/h1-18H
InChIKeyYEPFQNGAPJHJRL-UHFFFAOYSA-N
MW394.56 g/mol
LogP8.48
Rot. Bonds4

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

4-phenyl-2-[3-(4-phenylthiophen-2-yl)phenyl]thiophene (PubChem CID 118927379) has the molecular formula C26H18S2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 4-phenyl-2-[3-(4-phenylthiophen-2-yl)phenyl]thiophene.

Molecular Properties

Compound Name4-phenyl-2-[3-(4-phenylthiophen-2-yl)phenyl]thiophene
PubChem CID118927379
Molecular FormulaC26H18S2
Molecular Weight394.56 g/mol
Exact Mass394.08
IUPAC Name4-phenyl-2-[3-(4-phenylthiophen-2-yl)phenyl]thiophene
SMILESc1ccc(-c2csc(-c3cccc(-c4cc(-c5ccccc5)cs4)c3)c2)cc1
InChIInChI=1S/C26H18S2/c1-3-8-19(9-4-1)23-15-25(27-17-23)21-12-7-13-22(14-21)26-16-24(18-28-26)20-10-5-2-6-11-20/h1-18H
InChIKeyYEPFQNGAPJHJRL-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

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[3-(4-phenylthiophen-2-yl)phenyl]thiophene?
The IUPAC name of 4-phenyl-2-[3-(4-phenylthiophen-2-yl)phenyl]thiophene (CID 118927379) is 4-phenyl-2-[3-(4-phenylthiophen-2-yl)phenyl]thiophene.
What is the SMILES notation for 4-phenyl-2-[3-(4-phenylthiophen-2-yl)phenyl]thiophene?
The canonical SMILES for 4-phenyl-2-[3-(4-phenylthiophen-2-yl)phenyl]thiophene is c1ccc(-c2csc(-c3cccc(-c4cc(-c5ccccc5)cs4)c3)c2)cc1.
What is the InChIKey of 4-phenyl-2-[3-(4-phenylthiophen-2-yl)phenyl]thiophene?
The InChIKey is YEPFQNGAPJHJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18S2/c1-3-8-19(9-4-1)23-15-25(27-17-23)21-12-7-13-22(14-21)26-16-24(18-28-26)20-10-5-2-6-11-20/h1-18H.
What are the key properties of 4-phenyl-2-[3-(4-phenylthiophen-2-yl)phenyl]thiophene?
4-phenyl-2-[3-(4-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 4-phenyl-2-[3-(4-phenylthiophen-2-yl)phenyl]thiophene is sourced from PubChem (CID 118927379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).