5,7-bis(5-bromothiophen-2-yl)-2,3-dihexylthieno[3,4-b]pyrazine

C26H30Br2N2S3 — CID 102456583

IUPAC5,7-bis(5-bromothiophen-2-yl)-2,3-dihexylthieno[3,4-b]pyrazine
SMILESCCCCCCc1nc2c(-c3ccc(Br)s3)sc(-c3ccc(Br)s3)c2nc1CCCCCC
InChIInChI=1S/C26H30Br2N2S3/c1-3-5-7-9-11-17-18(12-10-8-6-4-2)30-24-23(29-17)25(19-13-15-21(27)31-19)33-26(24)20-14-16-22(28)32-20/h13-16H,3-12H2,1-2H3
InChIKeyOSFXEMWSEBFFQV-UHFFFAOYSA-N
MW626.55 g/mol
LogP10.92
Rot. Bonds12

About 5,7-bis(5-bromothiophen-2-yl)-2,3-dihexylthieno[3,4-b]pyrazine

5,7-bis(5-bromothiophen-2-yl)-2,3-dihexylthieno[3,4-b]pyrazine (PubChem CID 102456583) has the molecular formula C26H30Br2N2S3 and a molecular weight of 626.55 g/mol. Its IUPAC name is 5,7-bis(5-bromothiophen-2-yl)-2,3-dihexylthieno[3,4-b]pyrazine.

Molecular Properties

Compound Name5,7-bis(5-bromothiophen-2-yl)-2,3-dihexylthieno[3,4-b]pyrazine
PubChem CID102456583
Molecular FormulaC26H30Br2N2S3
Molecular Weight626.55 g/mol
Exact Mass623.99
IUPAC Name5,7-bis(5-bromothiophen-2-yl)-2,3-dihexylthieno[3,4-b]pyrazine
SMILESCCCCCCc1nc2c(-c3ccc(Br)s3)sc(-c3ccc(Br)s3)c2nc1CCCCCC
InChIInChI=1S/C26H30Br2N2S3/c1-3-5-7-9-11-17-18(12-10-8-6-4-2)30-24-23(29-17)25(19-13-15-21(27)31-19)33-26(24)20-14-16-22(28)32-20/h13-16H,3-12H2,1-2H3
InChIKeyOSFXEMWSEBFFQV-UHFFFAOYSA-N
XLogP10.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.55
LogP ≤ 510.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5,7-bis(5-bromothiophen-2-yl)-2,3-dihexylthieno[3,4-b]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(5-bromothiophen-2-yl)-2-[5-(5-bromothiophen-2-yl)-4-nonyl-1,3-thiazol-2-yl]-4-nonyl-1,3-thiazole
CID 102054987
5-(5-bromo-4-icosylthiophen-2-yl)-7-(5-bromo-4-methylthiophen-2-yl)-2,3-di(icosyl)thieno[3,4-b]pyrazine
CID 89349036
5,7-dibromo-2,3-didecylthieno[3,4-b]pyrazine
CID 21199980
2-bromo-5-(4-octylphenyl)thiophene
CID 59439546
(E)-3-[5-[8-(5-bromothiophen-2-yl)-2,3-dihexylquinoxalin-5-yl]thiophen-2-yl]-2-cyanoprop-2-enoic acid
CID 175059217
5-bromo-2-[5-[5-(5-bromo-3-heptadecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-3-heptadecylthiophene
CID 58084268
4-hexyl-2-[5-(4-hexyl-2-thiophen-2-yl-1,3-thiazol-5-yl)thiophen-2-yl]-5-thiophen-2-yl-1,3-thiazole
CID 59297189
2,5-bis[5-(5-methylthiophen-2-yl)-4-tetradecylthiophen-2-yl]thieno[3,2-b]thiophene
CID 59638614
5-[5-[7-[2-(7-methyl-9,9-dioctylfluoren-2-yl)-3,6-dioctylthieno[3,2-b]thiophen-5-yl]-9,9-dioctylfluoren-2-yl]thiophen-2-yl]-7-(5-methylthiophen-2-yl)-2,3-dioctylthieno[3,4-b]pyrazine
CID 89349033
2-[1,1-bis(5-bromothiophen-2-yl)heptyl]-5-bromothiophene
CID 86053610
5,8-dibromo-2,3-diheptylpyrido[3,4-b]pyrazine
CID 100969496
[5-[3,4-dioctyl-5-(5-trimethylstannylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-trimethylstannane
CID 153302217

Frequently Asked Questions

What is the IUPAC name of 5,7-bis(5-bromothiophen-2-yl)-2,3-dihexylthieno[3,4-b]pyrazine?
The IUPAC name of 5,7-bis(5-bromothiophen-2-yl)-2,3-dihexylthieno[3,4-b]pyrazine (CID 102456583) is 5,7-bis(5-bromothiophen-2-yl)-2,3-dihexylthieno[3,4-b]pyrazine.
What is the SMILES notation for 5,7-bis(5-bromothiophen-2-yl)-2,3-dihexylthieno[3,4-b]pyrazine?
The canonical SMILES for 5,7-bis(5-bromothiophen-2-yl)-2,3-dihexylthieno[3,4-b]pyrazine is CCCCCCc1nc2c(-c3ccc(Br)s3)sc(-c3ccc(Br)s3)c2nc1CCCCCC.
What is the InChIKey of 5,7-bis(5-bromothiophen-2-yl)-2,3-dihexylthieno[3,4-b]pyrazine?
The InChIKey is OSFXEMWSEBFFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30Br2N2S3/c1-3-5-7-9-11-17-18(12-10-8-6-4-2)30-24-23(29-17)25(19-13-15-21(27)31-19)33-26(24)20-14-16-22(28)32-20/h13-16H,3-12H2,1-2H3.
What are the key properties of 5,7-bis(5-bromothiophen-2-yl)-2,3-dihexylthieno[3,4-b]pyrazine?
5,7-bis(5-bromothiophen-2-yl)-2,3-dihexylthieno[3,4-b]pyrazine has a molecular weight of 626.55 g/mol, XLogP of 10.92, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(5-bromothiophen-2-yl)-2,3-dihexylthieno[3,4-b]pyrazine is sourced from PubChem (CID 102456583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).