6-(2,3-diphenylquinoxalin-6-yl)-2,3-diphenylquinoxaline

C40H26N4 — CID 3106564

IUPAC6-(2,3-diphenylquinoxalin-6-yl)-2,3-diphenylquinoxaline
SMILESc1ccc(-c2nc3ccc(-c4ccc5nc(-c6ccccc6)c(-c6ccccc6)nc5c4)cc3nc2-c2ccccc2)cc1
InChIInChI=1S/C40H26N4/c1-5-13-27(14-6-1)37-39(29-17-9-3-10-18-29)43-35-25-31(21-23-33(35)41-37)32-22-24-34-36(26-32)44-40(30-19-11-4-12-20-30)38(42-34)28-15-7-2-8-16-28/h1-26H
InChIKeyQESBRXIXJOBVGC-UHFFFAOYSA-N
MW562.68 g/mol
LogP9.91
Rot. Bonds5

About 6-(2,3-diphenylquinoxalin-6-yl)-2,3-diphenylquinoxaline

6-(2,3-diphenylquinoxalin-6-yl)-2,3-diphenylquinoxaline (PubChem CID 3106564) has the molecular formula C40H26N4 and a molecular weight of 562.68 g/mol. Its IUPAC name is 6-(2,3-diphenylquinoxalin-6-yl)-2,3-diphenylquinoxaline.

Molecular Properties

Compound Name6-(2,3-diphenylquinoxalin-6-yl)-2,3-diphenylquinoxaline
PubChem CID3106564
Molecular FormulaC40H26N4
Molecular Weight562.68 g/mol
Exact Mass562.22
IUPAC Name6-(2,3-diphenylquinoxalin-6-yl)-2,3-diphenylquinoxaline
SMILESc1ccc(-c2nc3ccc(-c4ccc5nc(-c6ccccc6)c(-c6ccccc6)nc5c4)cc3nc2-c2ccccc2)cc1
InChIInChI=1S/C40H26N4/c1-5-13-27(14-6-1)37-39(29-17-9-3-10-18-29)43-35-25-31(21-23-33(35)41-37)32-22-24-34-36(26-32)44-40(30-19-11-4-12-20-30)38(42-34)28-15-7-2-8-16-28/h1-26H
InChIKeyQESBRXIXJOBVGC-UHFFFAOYSA-N
XLogP9.91
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.68
LogP ≤ 59.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-diphenylquinoxalin-6-yl)-2,3-diphenylquinoxaline?
The IUPAC name of 6-(2,3-diphenylquinoxalin-6-yl)-2,3-diphenylquinoxaline (CID 3106564) is 6-(2,3-diphenylquinoxalin-6-yl)-2,3-diphenylquinoxaline.
What is the SMILES notation for 6-(2,3-diphenylquinoxalin-6-yl)-2,3-diphenylquinoxaline?
The canonical SMILES for 6-(2,3-diphenylquinoxalin-6-yl)-2,3-diphenylquinoxaline is c1ccc(-c2nc3ccc(-c4ccc5nc(-c6ccccc6)c(-c6ccccc6)nc5c4)cc3nc2-c2ccccc2)cc1.
What is the InChIKey of 6-(2,3-diphenylquinoxalin-6-yl)-2,3-diphenylquinoxaline?
The InChIKey is QESBRXIXJOBVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4/c1-5-13-27(14-6-1)37-39(29-17-9-3-10-18-29)43-35-25-31(21-23-33(35)41-37)32-22-24-34-36(26-32)44-40(30-19-11-4-12-20-30)38(42-34)28-15-7-2-8-16-28/h1-26H.
What are the key properties of 6-(2,3-diphenylquinoxalin-6-yl)-2,3-diphenylquinoxaline?
6-(2,3-diphenylquinoxalin-6-yl)-2,3-diphenylquinoxaline has a molecular weight of 562.68 g/mol, XLogP of 9.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-diphenylquinoxalin-6-yl)-2,3-diphenylquinoxaline is sourced from PubChem (CID 3106564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).