2-pent-1-ynyl-5-[4-(5-propylthiophen-2-yl)phenyl]thiophene

C22H22S2 — CID 59775355

IUPAC2-pent-1-ynyl-5-[4-(5-propylthiophen-2-yl)phenyl]thiophene
SMILESCCCC#Cc1ccc(-c2ccc(-c3ccc(CCC)s3)cc2)s1
InChIInChI=1S/C22H22S2/c1-3-5-6-8-20-14-16-22(24-20)18-11-9-17(10-12-18)21-15-13-19(23-21)7-4-2/h9-16H,3-5,7H2,1-2H3
InChIKeyFNXWJWRMTKKUFK-UHFFFAOYSA-N
MW350.55 g/mol
LogP7.25
Rot. Bonds5

About 2-pent-1-ynyl-5-[4-(5-propylthiophen-2-yl)phenyl]thiophene

2-pent-1-ynyl-5-[4-(5-propylthiophen-2-yl)phenyl]thiophene (PubChem CID 59775355) has the molecular formula C22H22S2 and a molecular weight of 350.55 g/mol. Its IUPAC name is 2-pent-1-ynyl-5-[4-(5-propylthiophen-2-yl)phenyl]thiophene.

Molecular Properties

Compound Name2-pent-1-ynyl-5-[4-(5-propylthiophen-2-yl)phenyl]thiophene
PubChem CID59775355
Molecular FormulaC22H22S2
Molecular Weight350.55 g/mol
Exact Mass350.12
IUPAC Name2-pent-1-ynyl-5-[4-(5-propylthiophen-2-yl)phenyl]thiophene
SMILESCCCC#Cc1ccc(-c2ccc(-c3ccc(CCC)s3)cc2)s1
InChIInChI=1S/C22H22S2/c1-3-5-6-8-20-14-16-22(24-20)18-11-9-17(10-12-18)21-15-13-19(23-21)7-4-2/h9-16H,3-5,7H2,1-2H3
InChIKeyFNXWJWRMTKKUFK-UHFFFAOYSA-N
XLogP7.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.55
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-propyl-5-[4-[4-[4-[4-(5-propylthiophen-2-yl)phenyl]phenyl]phenyl]phenyl]thiophene
CID 139982035
2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-5-propylthiophene
CID 143775720
2,5-bis[5-[2-(5-butylthiophen-2-yl)ethynyl]thiophen-2-yl]thiophene
CID 58825507
2-pent-1-ynyl-5-propan-2-ylthiophene
CID 129208121
2,5-bis[5-[2-(5-pentylthiophen-2-yl)ethynyl]thiophen-2-yl]thiophene
CID 101379220
2,5-dipropylthiophene
CID 587485
2-propyl-5-[3-(trifluoromethyl)phenyl]thiophene
CID 164918327
N,N-dibutyl-4-[5-[2-[5-[4-(dibutylamino)phenyl]thiophen-2-yl]ethynyl]thiophen-2-yl]aniline
CID 102315349
3-(5-propylthiophen-2-yl)pyridine
CID 143245944
4-[5-(2-trimethylsilylethynyl)thiophen-2-yl]-N,N-bis[4-[5-(2-trimethylsilylethynyl)thiophen-2-yl]phenyl]aniline
CID 139253878
2-butyl-5-(4-methoxyphenyl)thiophene
CID 101473574
2-[2,3-difluoro-4-(4-propylphenyl)phenyl]-5-ethylthiophene
CID 170655022

Frequently Asked Questions

What is the IUPAC name of 2-pent-1-ynyl-5-[4-(5-propylthiophen-2-yl)phenyl]thiophene?
The IUPAC name of 2-pent-1-ynyl-5-[4-(5-propylthiophen-2-yl)phenyl]thiophene (CID 59775355) is 2-pent-1-ynyl-5-[4-(5-propylthiophen-2-yl)phenyl]thiophene.
What is the SMILES notation for 2-pent-1-ynyl-5-[4-(5-propylthiophen-2-yl)phenyl]thiophene?
The canonical SMILES for 2-pent-1-ynyl-5-[4-(5-propylthiophen-2-yl)phenyl]thiophene is CCCC#Cc1ccc(-c2ccc(-c3ccc(CCC)s3)cc2)s1.
What is the InChIKey of 2-pent-1-ynyl-5-[4-(5-propylthiophen-2-yl)phenyl]thiophene?
The InChIKey is FNXWJWRMTKKUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22S2/c1-3-5-6-8-20-14-16-22(24-20)18-11-9-17(10-12-18)21-15-13-19(23-21)7-4-2/h9-16H,3-5,7H2,1-2H3.
What are the key properties of 2-pent-1-ynyl-5-[4-(5-propylthiophen-2-yl)phenyl]thiophene?
2-pent-1-ynyl-5-[4-(5-propylthiophen-2-yl)phenyl]thiophene has a molecular weight of 350.55 g/mol, XLogP of 7.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-1-ynyl-5-[4-(5-propylthiophen-2-yl)phenyl]thiophene is sourced from PubChem (CID 59775355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).