2,5-bis[5-[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]thiophene

C38H28O2S3 — CID 132513911

IUPAC2,5-bis[5-[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]thiophene
SMILESCOc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(OC)cc7)cc6)s5)s4)s3)cc2)cc1
InChIInChI=1S/C38H28O2S3/c1-39-31-15-11-27(12-16-31)25-3-7-29(8-4-25)33-19-21-35(41-33)37-23-24-38(43-37)36-22-20-34(42-36)30-9-5-26(6-10-30)28-13-17-32(40-2)18-14-28/h3-24H,1-2H3
InChIKeyOFGNUUQYRGAZRW-UHFFFAOYSA-N
MW612.84 g/mol
LogP11.89
Rot. Bonds8

About 2,5-bis[5-[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]thiophene

2,5-bis[5-[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]thiophene (PubChem CID 132513911) has the molecular formula C38H28O2S3 and a molecular weight of 612.84 g/mol. Its IUPAC name is 2,5-bis[5-[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2,5-bis[5-[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]thiophene
PubChem CID132513911
Molecular FormulaC38H28O2S3
Molecular Weight612.84 g/mol
Exact Mass612.13
IUPAC Name2,5-bis[5-[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]thiophene
SMILESCOc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(OC)cc7)cc6)s5)s4)s3)cc2)cc1
InChIInChI=1S/C38H28O2S3/c1-39-31-15-11-27(12-16-31)25-3-7-29(8-4-25)33-19-21-35(41-33)37-23-24-38(43-37)36-22-20-34(42-36)30-9-5-26(6-10-30)28-13-17-32(40-2)18-14-28/h3-24H,1-2H3
InChIKeyOFGNUUQYRGAZRW-UHFFFAOYSA-N
XLogP11.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.84
LogP ≤ 511.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-bis[4-(4-methoxyphenyl)phenyl]thiophene
CID 16751334
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2-(4-methoxyphenyl)-5-[4-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]phenyl]thiophene
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2-[3-(4-methoxyphenyl)-5-(5-thiophen-2-ylthiophen-2-yl)phenyl]-5-thiophen-2-ylthiophene
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2-[5-(4-methoxyphenyl)thiophen-2-yl]pyridine
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2-(methoxymethyl)-5-(4-methoxyphenyl)thiophene
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methane;1-methoxy-4-(4-methylphenyl)benzene
CID 159881054
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CID 141443240

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[5-[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]thiophene?
The IUPAC name of 2,5-bis[5-[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]thiophene (CID 132513911) is 2,5-bis[5-[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]thiophene.
What is the SMILES notation for 2,5-bis[5-[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]thiophene?
The canonical SMILES for 2,5-bis[5-[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]thiophene is COc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(-c6ccc(-c7ccc(OC)cc7)cc6)s5)s4)s3)cc2)cc1.
What is the InChIKey of 2,5-bis[5-[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]thiophene?
The InChIKey is OFGNUUQYRGAZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H28O2S3/c1-39-31-15-11-27(12-16-31)25-3-7-29(8-4-25)33-19-21-35(41-33)37-23-24-38(43-37)36-22-20-34(42-36)30-9-5-26(6-10-30)28-13-17-32(40-2)18-14-28/h3-24H,1-2H3.
What are the key properties of 2,5-bis[5-[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]thiophene?
2,5-bis[5-[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]thiophene has a molecular weight of 612.84 g/mol, XLogP of 11.89, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[5-[4-(4-methoxyphenyl)phenyl]thiophen-2-yl]thiophene is sourced from PubChem (CID 132513911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).