2,6-bis[5-(4-butylphenyl)thiophen-2-yl]pyrazine

C32H32N2S2 — CID 59488717

IUPAC2,6-bis[5-(4-butylphenyl)thiophen-2-yl]pyrazine
SMILESCCCCc1ccc(-c2ccc(-c3cncc(-c4ccc(-c5ccc(CCCC)cc5)s4)n3)s2)cc1
InChIInChI=1S/C32H32N2S2/c1-3-5-7-23-9-13-25(14-10-23)29-17-19-31(35-29)27-21-33-22-28(34-27)32-20-18-30(36-32)26-15-11-24(12-16-26)8-6-4-2/h9-22H,3-8H2,1-2H3
InChIKeyROSPTVANDZOEBE-UHFFFAOYSA-N
MW508.76 g/mol
LogP9.95
Rot. Bonds10

About 2,6-bis[5-(4-butylphenyl)thiophen-2-yl]pyrazine

2,6-bis[5-(4-butylphenyl)thiophen-2-yl]pyrazine (PubChem CID 59488717) has the molecular formula C32H32N2S2 and a molecular weight of 508.76 g/mol. Its IUPAC name is 2,6-bis[5-(4-butylphenyl)thiophen-2-yl]pyrazine.

Molecular Properties

Compound Name2,6-bis[5-(4-butylphenyl)thiophen-2-yl]pyrazine
PubChem CID59488717
Molecular FormulaC32H32N2S2
Molecular Weight508.76 g/mol
Exact Mass508.20
IUPAC Name2,6-bis[5-(4-butylphenyl)thiophen-2-yl]pyrazine
SMILESCCCCc1ccc(-c2ccc(-c3cncc(-c4ccc(-c5ccc(CCCC)cc5)s4)n3)s2)cc1
InChIInChI=1S/C32H32N2S2/c1-3-5-7-23-9-13-25(14-10-23)29-17-19-31(35-29)27-21-33-22-28(34-27)32-20-18-30(36-32)26-15-11-24(12-16-26)8-6-4-2/h9-22H,3-8H2,1-2H3
InChIKeyROSPTVANDZOEBE-UHFFFAOYSA-N
XLogP9.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.76
LogP ≤ 59.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,6-tris[5-(4-butylphenyl)thiophen-2-yl]pyrimidine
CID 122204785
2,5-bis[5-(4-octylphenyl)thiophen-2-yl]-[1,3]thiazolo[5,4-d][1,3]thiazole
CID 59514665
4-butyl-N,N-bis[4-(5-methylthiophen-2-yl)phenyl]aniline
CID 59682229
1-N,4-N-bis(4-butylphenyl)-1-N,4-N-bis[4-(5-methylthiophen-2-yl)phenyl]benzene-1,4-diamine
CID 59682226
1-[5-(4-butylphenyl)thiophen-2-yl]ethanamine
CID 43363583
2-bromo-5-(4-octylphenyl)thiophene
CID 59439546
5-butyl-2-(4-butylphenyl)pyrimidine
CID 614558
2-(4-hexylphenyl)-5-(4-nonylphenyl)-1,3-thiazole
CID 15332709
N-[[5-(4-butylphenyl)thiophen-2-yl]methyl]propan-1-amine
CID 43287428
2-(4-butylphenyl)-4-methyl-6-(4-methylphenyl)-1,3,5-triazine;ethane
CID 145044910
2-(4-ethylphenyl)-5-[4-[5-(4-ethylphenyl)thiophen-2-yl]phenyl]thiophene
CID 139942065
3-[4-[5-[5-[4-(3-phosphanylpropyl)phenyl]thiophen-2-yl]thiophen-2-yl]phenyl]propylphosphane
CID 59207297

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[5-(4-butylphenyl)thiophen-2-yl]pyrazine?
The IUPAC name of 2,6-bis[5-(4-butylphenyl)thiophen-2-yl]pyrazine (CID 59488717) is 2,6-bis[5-(4-butylphenyl)thiophen-2-yl]pyrazine.
What is the SMILES notation for 2,6-bis[5-(4-butylphenyl)thiophen-2-yl]pyrazine?
The canonical SMILES for 2,6-bis[5-(4-butylphenyl)thiophen-2-yl]pyrazine is CCCCc1ccc(-c2ccc(-c3cncc(-c4ccc(-c5ccc(CCCC)cc5)s4)n3)s2)cc1.
What is the InChIKey of 2,6-bis[5-(4-butylphenyl)thiophen-2-yl]pyrazine?
The InChIKey is ROSPTVANDZOEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2S2/c1-3-5-7-23-9-13-25(14-10-23)29-17-19-31(35-29)27-21-33-22-28(34-27)32-20-18-30(36-32)26-15-11-24(12-16-26)8-6-4-2/h9-22H,3-8H2,1-2H3.
What are the key properties of 2,6-bis[5-(4-butylphenyl)thiophen-2-yl]pyrazine?
2,6-bis[5-(4-butylphenyl)thiophen-2-yl]pyrazine has a molecular weight of 508.76 g/mol, XLogP of 9.95, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[5-(4-butylphenyl)thiophen-2-yl]pyrazine is sourced from PubChem (CID 59488717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).