5,10-dibromo-2,3-di(thiophen-3-yl)benzo[g]quinoxaline

C20H10Br2N2S2 — CID 70164555

IUPAC5,10-dibromo-2,3-di(thiophen-3-yl)benzo[g]quinoxaline
SMILESBrc1c2ccccc2c(Br)c2nc(-c3ccsc3)c(-c3ccsc3)nc12
InChIInChI=1S/C20H10Br2N2S2/c21-15-13-3-1-2-4-14(13)16(22)20-19(15)23-17(11-5-7-25-9-11)18(24-20)12-6-8-26-10-12/h1-10H
InChIKeyATPLEUFIXKDYDC-UHFFFAOYSA-N
MW502.26 g/mol
LogP7.76
Rot. Bonds2

About 5,10-dibromo-2,3-di(thiophen-3-yl)benzo[g]quinoxaline

5,10-dibromo-2,3-di(thiophen-3-yl)benzo[g]quinoxaline (PubChem CID 70164555) has the molecular formula C20H10Br2N2S2 and a molecular weight of 502.26 g/mol. Its IUPAC name is 5,10-dibromo-2,3-di(thiophen-3-yl)benzo[g]quinoxaline.

Molecular Properties

Compound Name5,10-dibromo-2,3-di(thiophen-3-yl)benzo[g]quinoxaline
PubChem CID70164555
Molecular FormulaC20H10Br2N2S2
Molecular Weight502.26 g/mol
Exact Mass499.87
IUPAC Name5,10-dibromo-2,3-di(thiophen-3-yl)benzo[g]quinoxaline
SMILESBrc1c2ccccc2c(Br)c2nc(-c3ccsc3)c(-c3ccsc3)nc12
InChIInChI=1S/C20H10Br2N2S2/c21-15-13-3-1-2-4-14(13)16(22)20-19(15)23-17(11-5-7-25-9-11)18(24-20)12-6-8-26-10-12/h1-10H
InChIKeyATPLEUFIXKDYDC-UHFFFAOYSA-N
XLogP7.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.26
LogP ≤ 57.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,10-dibromo-2,3-di(thiophen-3-yl)benzo[g]quinoxaline?
The IUPAC name of 5,10-dibromo-2,3-di(thiophen-3-yl)benzo[g]quinoxaline (CID 70164555) is 5,10-dibromo-2,3-di(thiophen-3-yl)benzo[g]quinoxaline.
What is the SMILES notation for 5,10-dibromo-2,3-di(thiophen-3-yl)benzo[g]quinoxaline?
The canonical SMILES for 5,10-dibromo-2,3-di(thiophen-3-yl)benzo[g]quinoxaline is Brc1c2ccccc2c(Br)c2nc(-c3ccsc3)c(-c3ccsc3)nc12.
What is the InChIKey of 5,10-dibromo-2,3-di(thiophen-3-yl)benzo[g]quinoxaline?
The InChIKey is ATPLEUFIXKDYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10Br2N2S2/c21-15-13-3-1-2-4-14(13)16(22)20-19(15)23-17(11-5-7-25-9-11)18(24-20)12-6-8-26-10-12/h1-10H.
What are the key properties of 5,10-dibromo-2,3-di(thiophen-3-yl)benzo[g]quinoxaline?
5,10-dibromo-2,3-di(thiophen-3-yl)benzo[g]quinoxaline has a molecular weight of 502.26 g/mol, XLogP of 7.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10-dibromo-2,3-di(thiophen-3-yl)benzo[g]quinoxaline is sourced from PubChem (CID 70164555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).