2,3-dimethyl-5,8-bis(5-thiophen-2-ylthiophen-2-yl)quinoxaline

C26H18N2S4 — CID 101404191

IUPAC2,3-dimethyl-5,8-bis(5-thiophen-2-ylthiophen-2-yl)quinoxaline
SMILESCc1nc2c(-c3ccc(-c4cccs4)s3)ccc(-c3ccc(-c4cccs4)s3)c2nc1C
InChIInChI=1S/C26H18N2S4/c1-15-16(2)28-26-18(20-10-12-24(32-20)22-6-4-14-30-22)8-7-17(25(26)27-15)19-9-11-23(31-19)21-5-3-13-29-21/h3-14H,1-2H3
InChIKeyCMXCNIMIQVWHKB-UHFFFAOYSA-N
MW486.71 g/mol
LogP9.16
Rot. Bonds4

About 2,3-dimethyl-5,8-bis(5-thiophen-2-ylthiophen-2-yl)quinoxaline

2,3-dimethyl-5,8-bis(5-thiophen-2-ylthiophen-2-yl)quinoxaline (PubChem CID 101404191) has the molecular formula C26H18N2S4 and a molecular weight of 486.71 g/mol. Its IUPAC name is 2,3-dimethyl-5,8-bis(5-thiophen-2-ylthiophen-2-yl)quinoxaline.

Molecular Properties

Compound Name2,3-dimethyl-5,8-bis(5-thiophen-2-ylthiophen-2-yl)quinoxaline
PubChem CID101404191
Molecular FormulaC26H18N2S4
Molecular Weight486.71 g/mol
Exact Mass486.04
IUPAC Name2,3-dimethyl-5,8-bis(5-thiophen-2-ylthiophen-2-yl)quinoxaline
SMILESCc1nc2c(-c3ccc(-c4cccs4)s3)ccc(-c3ccc(-c4cccs4)s3)c2nc1C
InChIInChI=1S/C26H18N2S4/c1-15-16(2)28-26-18(20-10-12-24(32-20)22-6-4-14-30-22)8-7-17(25(26)27-15)19-9-11-23(31-19)21-5-3-13-29-21/h3-14H,1-2H3
InChIKeyCMXCNIMIQVWHKB-UHFFFAOYSA-N
XLogP9.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.71
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
2-methyl-5-thiophen-2-ylthiophene;propane
CID 142257628
7,8-didecoxy-1,4-bis(5-thiophen-2-ylthiophen-2-yl)phenazine
CID 102340610
2,6-bis(5-thiophen-2-ylthiophen-2-yl)pyrazine
CID 59488709
6,7-dimethyl-4,9-dithiophen-2-yl-[1,2,5]thiadiazolo[3,4-g]quinoxaline
CID 50992957
2-(2-ethyl-3-methylphenyl)-5-thiophen-2-ylthiophene
CID 141257893
2,3-dithiophen-2-ylthiophene;2,5-dithiophen-2-ylthiophene
CID 161253410
3-methyl-2-[5-[5-(3-methyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene
CID 59476051
tris(5-thiophen-2-ylthiophen-2-yl)phosphane
CID 101444105
2,6-bis[5-[6-[5-(6-thiophen-2-yl-2-pyridinyl)thiophen-2-yl]-2-pyridinyl]thiophen-2-yl]pyridine
CID 102326398
3-ethyl-2-methyl-4-(5-thiophen-2-ylthiophen-2-yl)benzaldehyde
CID 141257903
5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-3-[6-[5-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]-1,2,4-triazin-3-yl]-2-pyridinyl]-1,2,4-triazine
CID 15426250

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5,8-bis(5-thiophen-2-ylthiophen-2-yl)quinoxaline?
The IUPAC name of 2,3-dimethyl-5,8-bis(5-thiophen-2-ylthiophen-2-yl)quinoxaline (CID 101404191) is 2,3-dimethyl-5,8-bis(5-thiophen-2-ylthiophen-2-yl)quinoxaline.
What is the SMILES notation for 2,3-dimethyl-5,8-bis(5-thiophen-2-ylthiophen-2-yl)quinoxaline?
The canonical SMILES for 2,3-dimethyl-5,8-bis(5-thiophen-2-ylthiophen-2-yl)quinoxaline is Cc1nc2c(-c3ccc(-c4cccs4)s3)ccc(-c3ccc(-c4cccs4)s3)c2nc1C.
What is the InChIKey of 2,3-dimethyl-5,8-bis(5-thiophen-2-ylthiophen-2-yl)quinoxaline?
The InChIKey is CMXCNIMIQVWHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N2S4/c1-15-16(2)28-26-18(20-10-12-24(32-20)22-6-4-14-30-22)8-7-17(25(26)27-15)19-9-11-23(31-19)21-5-3-13-29-21/h3-14H,1-2H3.
What are the key properties of 2,3-dimethyl-5,8-bis(5-thiophen-2-ylthiophen-2-yl)quinoxaline?
2,3-dimethyl-5,8-bis(5-thiophen-2-ylthiophen-2-yl)quinoxaline has a molecular weight of 486.71 g/mol, XLogP of 9.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5,8-bis(5-thiophen-2-ylthiophen-2-yl)quinoxaline is sourced from PubChem (CID 101404191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).