3-(6H-indolo[3,2-b]quinoxalin-3-yl)-6H-indolo[3,2-b]quinoxaline

C28H16N6 — CID 5470129

IUPAC3-(6H-indolo[3,2-b]quinoxalin-3-yl)-6H-indolo[3,2-b]quinoxaline
SMILESc1ccc2c(c1)[nH]c1nc3cc(-c4ccc5nc6c(nc5c4)[nH]c4ccccc46)ccc3nc12
InChIInChI=1S/C28H16N6/c1-3-7-19-17(5-1)25-27(31-19)33-23-13-15(9-11-21(23)29-25)16-10-12-22-24(14-16)34-28-26(30-22)18-6-2-4-8-20(18)32-28/h1-14H,(H,31,33)(H,32,34)
InChIKeyOEXYMCOIPJJMFP-UHFFFAOYSA-N
MW436.48 g/mol
LogP6.51
Rot. Bonds1

About 3-(6H-indolo[3,2-b]quinoxalin-3-yl)-6H-indolo[3,2-b]quinoxaline

3-(6H-indolo[3,2-b]quinoxalin-3-yl)-6H-indolo[3,2-b]quinoxaline (PubChem CID 5470129) has the molecular formula C28H16N6 and a molecular weight of 436.48 g/mol. Its IUPAC name is 3-(6H-indolo[3,2-b]quinoxalin-3-yl)-6H-indolo[3,2-b]quinoxaline.

Molecular Properties

Compound Name3-(6H-indolo[3,2-b]quinoxalin-3-yl)-6H-indolo[3,2-b]quinoxaline
PubChem CID5470129
Molecular FormulaC28H16N6
Molecular Weight436.48 g/mol
Exact Mass436.14
IUPAC Name3-(6H-indolo[3,2-b]quinoxalin-3-yl)-6H-indolo[3,2-b]quinoxaline
SMILESc1ccc2c(c1)[nH]c1nc3cc(-c4ccc5nc6c(nc5c4)[nH]c4ccccc46)ccc3nc12
InChIInChI=1S/C28H16N6/c1-3-7-19-17(5-1)25-27(31-19)33-23-13-15(9-11-21(23)29-25)16-10-12-22-24(14-16)34-28-26(30-22)18-6-2-4-8-20(18)32-28/h1-14H,(H,31,33)(H,32,34)
InChIKeyOEXYMCOIPJJMFP-UHFFFAOYSA-N
XLogP6.51
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.48
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6H-indolo[3,2-b]quinoxalin-3-yl)-6H-indolo[3,2-b]quinoxaline?
The IUPAC name of 3-(6H-indolo[3,2-b]quinoxalin-3-yl)-6H-indolo[3,2-b]quinoxaline (CID 5470129) is 3-(6H-indolo[3,2-b]quinoxalin-3-yl)-6H-indolo[3,2-b]quinoxaline.
What is the SMILES notation for 3-(6H-indolo[3,2-b]quinoxalin-3-yl)-6H-indolo[3,2-b]quinoxaline?
The canonical SMILES for 3-(6H-indolo[3,2-b]quinoxalin-3-yl)-6H-indolo[3,2-b]quinoxaline is c1ccc2c(c1)[nH]c1nc3cc(-c4ccc5nc6c(nc5c4)[nH]c4ccccc46)ccc3nc12.
What is the InChIKey of 3-(6H-indolo[3,2-b]quinoxalin-3-yl)-6H-indolo[3,2-b]quinoxaline?
The InChIKey is OEXYMCOIPJJMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16N6/c1-3-7-19-17(5-1)25-27(31-19)33-23-13-15(9-11-21(23)29-25)16-10-12-22-24(14-16)34-28-26(30-22)18-6-2-4-8-20(18)32-28/h1-14H,(H,31,33)(H,32,34).
What are the key properties of 3-(6H-indolo[3,2-b]quinoxalin-3-yl)-6H-indolo[3,2-b]quinoxaline?
3-(6H-indolo[3,2-b]quinoxalin-3-yl)-6H-indolo[3,2-b]quinoxaline has a molecular weight of 436.48 g/mol, XLogP of 6.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6H-indolo[3,2-b]quinoxalin-3-yl)-6H-indolo[3,2-b]quinoxaline is sourced from PubChem (CID 5470129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).