2-[4-(4-quinoxalin-2-ylphenoxy)phenyl]quinoxaline

C28H18N4O — CID 2246096

IUPAC2-[4-(4-quinoxalin-2-ylphenoxy)phenyl]quinoxaline
SMILESc1ccc2nc(-c3ccc(Oc4ccc(-c5cnc6ccccc6n5)cc4)cc3)cnc2c1
InChIInChI=1S/C28H18N4O/c1-3-7-25-23(5-1)29-17-27(31-25)19-9-13-21(14-10-19)33-22-15-11-20(12-16-22)28-18-30-24-6-2-4-8-26(24)32-28/h1-18H
InChIKeyYZWGHAOLRFIZPQ-UHFFFAOYSA-N
MW426.48 g/mol
LogP6.70
Rot. Bonds4

About 2-[4-(4-quinoxalin-2-ylphenoxy)phenyl]quinoxaline

2-[4-(4-quinoxalin-2-ylphenoxy)phenyl]quinoxaline (PubChem CID 2246096) has the molecular formula C28H18N4O and a molecular weight of 426.48 g/mol. Its IUPAC name is 2-[4-(4-quinoxalin-2-ylphenoxy)phenyl]quinoxaline.

Molecular Properties

Compound Name2-[4-(4-quinoxalin-2-ylphenoxy)phenyl]quinoxaline
PubChem CID2246096
Molecular FormulaC28H18N4O
Molecular Weight426.48 g/mol
Exact Mass426.15
IUPAC Name2-[4-(4-quinoxalin-2-ylphenoxy)phenyl]quinoxaline
SMILESc1ccc2nc(-c3ccc(Oc4ccc(-c5cnc6ccccc6n5)cc4)cc3)cnc2c1
InChIInChI=1S/C28H18N4O/c1-3-7-25-23(5-1)29-17-27(31-25)19-9-13-21(14-10-19)33-22-15-11-20(12-16-22)28-18-30-24-6-2-4-8-26(24)32-28/h1-18H
InChIKeyYZWGHAOLRFIZPQ-UHFFFAOYSA-N
XLogP6.70
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.48
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-quinoxalin-2-ylphenoxy)phenyl]quinoxaline?
The IUPAC name of 2-[4-(4-quinoxalin-2-ylphenoxy)phenyl]quinoxaline (CID 2246096) is 2-[4-(4-quinoxalin-2-ylphenoxy)phenyl]quinoxaline.
What is the SMILES notation for 2-[4-(4-quinoxalin-2-ylphenoxy)phenyl]quinoxaline?
The canonical SMILES for 2-[4-(4-quinoxalin-2-ylphenoxy)phenyl]quinoxaline is c1ccc2nc(-c3ccc(Oc4ccc(-c5cnc6ccccc6n5)cc4)cc3)cnc2c1.
What is the InChIKey of 2-[4-(4-quinoxalin-2-ylphenoxy)phenyl]quinoxaline?
The InChIKey is YZWGHAOLRFIZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N4O/c1-3-7-25-23(5-1)29-17-27(31-25)19-9-13-21(14-10-19)33-22-15-11-20(12-16-22)28-18-30-24-6-2-4-8-26(24)32-28/h1-18H.
What are the key properties of 2-[4-(4-quinoxalin-2-ylphenoxy)phenyl]quinoxaline?
2-[4-(4-quinoxalin-2-ylphenoxy)phenyl]quinoxaline has a molecular weight of 426.48 g/mol, XLogP of 6.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-quinoxalin-2-ylphenoxy)phenyl]quinoxaline is sourced from PubChem (CID 2246096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).