3-(2,4-dimethylphenyl)-5-[4-(2,4-dimethylphenyl)-5-methylthiophen-2-yl]-2-methylthiophene

C26H26S2 — CID 59167091

IUPAC3-(2,4-dimethylphenyl)-5-[4-(2,4-dimethylphenyl)-5-methylthiophen-2-yl]-2-methylthiophene
SMILESCc1ccc(-c2cc(-c3cc(-c4ccc(C)cc4C)c(C)s3)sc2C)c(C)c1
InChIInChI=1S/C26H26S2/c1-15-7-9-21(17(3)11-15)23-13-25(27-19(23)5)26-14-24(20(6)28-26)22-10-8-16(2)12-18(22)4/h7-14H,1-6H3
InChIKeyBWWWAIKSCQQZBY-UHFFFAOYSA-N
MW402.63 g/mol
LogP8.66
Rot. Bonds3

About 3-(2,4-dimethylphenyl)-5-[4-(2,4-dimethylphenyl)-5-methylthiophen-2-yl]-2-methylthiophene

3-(2,4-dimethylphenyl)-5-[4-(2,4-dimethylphenyl)-5-methylthiophen-2-yl]-2-methylthiophene (PubChem CID 59167091) has the molecular formula C26H26S2 and a molecular weight of 402.63 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-5-[4-(2,4-dimethylphenyl)-5-methylthiophen-2-yl]-2-methylthiophene.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-5-[4-(2,4-dimethylphenyl)-5-methylthiophen-2-yl]-2-methylthiophene
PubChem CID59167091
Molecular FormulaC26H26S2
Molecular Weight402.63 g/mol
Exact Mass402.15
IUPAC Name3-(2,4-dimethylphenyl)-5-[4-(2,4-dimethylphenyl)-5-methylthiophen-2-yl]-2-methylthiophene
SMILESCc1ccc(-c2cc(-c3cc(-c4ccc(C)cc4C)c(C)s3)sc2C)c(C)c1
InChIInChI=1S/C26H26S2/c1-15-7-9-21(17(3)11-15)23-13-25(27-19(23)5)26-14-24(20(6)28-26)22-10-8-16(2)12-18(22)4/h7-14H,1-6H3
InChIKeyBWWWAIKSCQQZBY-UHFFFAOYSA-N
XLogP8.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.63
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-5-[4-(2,4-dimethylphenyl)-5-methylthiophen-2-yl]-2-methylthiophene?
The IUPAC name of 3-(2,4-dimethylphenyl)-5-[4-(2,4-dimethylphenyl)-5-methylthiophen-2-yl]-2-methylthiophene (CID 59167091) is 3-(2,4-dimethylphenyl)-5-[4-(2,4-dimethylphenyl)-5-methylthiophen-2-yl]-2-methylthiophene.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-5-[4-(2,4-dimethylphenyl)-5-methylthiophen-2-yl]-2-methylthiophene?
The canonical SMILES for 3-(2,4-dimethylphenyl)-5-[4-(2,4-dimethylphenyl)-5-methylthiophen-2-yl]-2-methylthiophene is Cc1ccc(-c2cc(-c3cc(-c4ccc(C)cc4C)c(C)s3)sc2C)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-5-[4-(2,4-dimethylphenyl)-5-methylthiophen-2-yl]-2-methylthiophene?
The InChIKey is BWWWAIKSCQQZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26S2/c1-15-7-9-21(17(3)11-15)23-13-25(27-19(23)5)26-14-24(20(6)28-26)22-10-8-16(2)12-18(22)4/h7-14H,1-6H3.
What are the key properties of 3-(2,4-dimethylphenyl)-5-[4-(2,4-dimethylphenyl)-5-methylthiophen-2-yl]-2-methylthiophene?
3-(2,4-dimethylphenyl)-5-[4-(2,4-dimethylphenyl)-5-methylthiophen-2-yl]-2-methylthiophene has a molecular weight of 402.63 g/mol, XLogP of 8.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-5-[4-(2,4-dimethylphenyl)-5-methylthiophen-2-yl]-2-methylthiophene is sourced from PubChem (CID 59167091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).