2-(2-methylbutan-2-yl)-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene

C25H22S5 — CID 129214307

IUPAC2-(2-methylbutan-2-yl)-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
SMILESCCC(C)(C)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5cccs5)s4)s3)s2)s1
InChIInChI=1S/C25H22S5/c1-4-25(2,3)24-14-13-23(30-24)22-12-11-21(29-22)20-10-9-19(28-20)18-8-7-17(27-18)16-6-5-15-26-16/h5-15H,4H2,1-3H3
InChIKeyISNPMALSXCDFDJ-UHFFFAOYSA-N
MW482.79 g/mol
LogP10.35
Rot. Bonds6

About 2-(2-methylbutan-2-yl)-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene

2-(2-methylbutan-2-yl)-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene (PubChem CID 129214307) has the molecular formula C25H22S5 and a molecular weight of 482.79 g/mol. Its IUPAC name is 2-(2-methylbutan-2-yl)-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2-(2-methylbutan-2-yl)-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
PubChem CID129214307
Molecular FormulaC25H22S5
Molecular Weight482.79 g/mol
Exact Mass482.03
IUPAC Name2-(2-methylbutan-2-yl)-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
SMILESCCC(C)(C)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5cccs5)s4)s3)s2)s1
InChIInChI=1S/C25H22S5/c1-4-25(2,3)24-14-13-23(30-24)22-12-11-21(29-22)20-10-9-19(28-20)18-8-7-17(27-18)16-6-5-15-26-16/h5-15H,4H2,1-3H3
InChIKeyISNPMALSXCDFDJ-UHFFFAOYSA-N
XLogP10.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.79
LogP ≤ 510.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
ethane;2-(2-methylbutan-2-yl)thiophene
CID 142062871
2-methyl-5-thiophen-2-ylthiophene;propane
CID 142257628
2-(3,5-diethylphenyl)-5-thiophen-2-ylthiophene
CID 141257815
triethoxy-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]silane
CID 59664325
2-(2-ethyl-3-methylphenyl)-5-thiophen-2-ylthiophene
CID 141257893
dibutyl-[dibutyl-(5-thiophen-2-ylthiophen-2-yl)silyl]-(5-thiophen-2-ylthiophen-2-yl)silane
CID 101060108
[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]methanol
CID 15838027
but-1-yne;2-thiophen-2-ylthiophene
CID 174755152
1-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]butan-2-amine
CID 170888631
1-(5-thiophen-2-ylthiophen-2-yl)propan-1-ol
CID 18920444
2-propylsulfanyl-5-thiophen-2-ylthiophene
CID 100914409

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-yl)-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene?
The IUPAC name of 2-(2-methylbutan-2-yl)-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene (CID 129214307) is 2-(2-methylbutan-2-yl)-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene.
What is the SMILES notation for 2-(2-methylbutan-2-yl)-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene?
The canonical SMILES for 2-(2-methylbutan-2-yl)-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene is CCC(C)(C)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5cccs5)s4)s3)s2)s1.
What is the InChIKey of 2-(2-methylbutan-2-yl)-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene?
The InChIKey is ISNPMALSXCDFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22S5/c1-4-25(2,3)24-14-13-23(30-24)22-12-11-21(29-22)20-10-9-19(28-20)18-8-7-17(27-18)16-6-5-15-26-16/h5-15H,4H2,1-3H3.
What are the key properties of 2-(2-methylbutan-2-yl)-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene?
2-(2-methylbutan-2-yl)-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene has a molecular weight of 482.79 g/mol, XLogP of 10.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-yl)-5-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene is sourced from PubChem (CID 129214307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).