5,8-diethynyl-2,3-diphenylquinoxaline

C24H14N2 — CID 5237239

IUPAC5,8-diethynyl-2,3-diphenylquinoxaline
SMILESC#Cc1ccc(C#C)c2nc(-c3ccccc3)c(-c3ccccc3)nc12
InChIInChI=1S/C24H14N2/c1-3-17-15-16-18(4-2)22-21(17)25-23(19-11-7-5-8-12-19)24(26-22)20-13-9-6-10-14-20/h1-2,5-16H
InChIKeyAGAFSCQKJFATLC-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.93
Rot. Bonds2

About 5,8-diethynyl-2,3-diphenylquinoxaline

5,8-diethynyl-2,3-diphenylquinoxaline (PubChem CID 5237239) has the molecular formula C24H14N2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 5,8-diethynyl-2,3-diphenylquinoxaline.

Molecular Properties

Compound Name5,8-diethynyl-2,3-diphenylquinoxaline
PubChem CID5237239
Molecular FormulaC24H14N2
Molecular Weight330.39 g/mol
Exact Mass330.12
IUPAC Name5,8-diethynyl-2,3-diphenylquinoxaline
SMILESC#Cc1ccc(C#C)c2nc(-c3ccccc3)c(-c3ccccc3)nc12
InChIInChI=1S/C24H14N2/c1-3-17-15-16-18(4-2)22-21(17)25-23(19-11-7-5-8-12-19)24(26-22)20-13-9-6-10-14-20/h1-2,5-16H
InChIKeyAGAFSCQKJFATLC-UHFFFAOYSA-N
XLogP4.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,8-diethynyl-2,3-diphenylquinoxaline?
The IUPAC name of 5,8-diethynyl-2,3-diphenylquinoxaline (CID 5237239) is 5,8-diethynyl-2,3-diphenylquinoxaline.
What is the SMILES notation for 5,8-diethynyl-2,3-diphenylquinoxaline?
The canonical SMILES for 5,8-diethynyl-2,3-diphenylquinoxaline is C#Cc1ccc(C#C)c2nc(-c3ccccc3)c(-c3ccccc3)nc12.
What is the InChIKey of 5,8-diethynyl-2,3-diphenylquinoxaline?
The InChIKey is AGAFSCQKJFATLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N2/c1-3-17-15-16-18(4-2)22-21(17)25-23(19-11-7-5-8-12-19)24(26-22)20-13-9-6-10-14-20/h1-2,5-16H.
What are the key properties of 5,8-diethynyl-2,3-diphenylquinoxaline?
5,8-diethynyl-2,3-diphenylquinoxaline has a molecular weight of 330.39 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-diethynyl-2,3-diphenylquinoxaline is sourced from PubChem (CID 5237239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).