5,7-bis(4-phenoxyphenyl)-2,3-diphenyl-6-quinoxalin-6-ylquinoxaline

C52H34N4O2 — CID 19850016

IUPAC5,7-bis(4-phenoxyphenyl)-2,3-diphenyl-6-quinoxalin-6-ylquinoxaline
SMILESc1ccc(Oc2ccc(-c3cc4nc(-c5ccccc5)c(-c5ccccc5)nc4c(-c4ccc(Oc5ccccc5)cc4)c3-c3ccc4nccnc4c3)cc2)cc1
InChIInChI=1S/C52H34N4O2/c1-5-13-37(14-6-1)50-51(38-15-7-2-8-16-38)56-52-47(55-50)34-44(35-21-26-42(27-22-35)57-40-17-9-3-10-18-40)48(39-25-30-45-46(33-39)54-32-31-53-45)49(52)36-23-28-43(29-24-36)58-41-19-11-4-12-20-41/h1-34H
InChIKeyTVYUIFVAYVAGEH-UHFFFAOYSA-N
MW746.87 g/mol
LogP13.49
Rot. Bonds9

About 5,7-bis(4-phenoxyphenyl)-2,3-diphenyl-6-quinoxalin-6-ylquinoxaline

5,7-bis(4-phenoxyphenyl)-2,3-diphenyl-6-quinoxalin-6-ylquinoxaline (PubChem CID 19850016) has the molecular formula C52H34N4O2 and a molecular weight of 746.87 g/mol. Its IUPAC name is 5,7-bis(4-phenoxyphenyl)-2,3-diphenyl-6-quinoxalin-6-ylquinoxaline.

Molecular Properties

Compound Name5,7-bis(4-phenoxyphenyl)-2,3-diphenyl-6-quinoxalin-6-ylquinoxaline
PubChem CID19850016
Molecular FormulaC52H34N4O2
Molecular Weight746.87 g/mol
Exact Mass746.27
IUPAC Name5,7-bis(4-phenoxyphenyl)-2,3-diphenyl-6-quinoxalin-6-ylquinoxaline
SMILESc1ccc(Oc2ccc(-c3cc4nc(-c5ccccc5)c(-c5ccccc5)nc4c(-c4ccc(Oc5ccccc5)cc4)c3-c3ccc4nccnc4c3)cc2)cc1
InChIInChI=1S/C52H34N4O2/c1-5-13-37(14-6-1)50-51(38-15-7-2-8-16-38)56-52-47(55-50)34-44(35-21-26-42(27-22-35)57-40-17-9-3-10-18-40)48(39-25-30-45-46(33-39)54-32-31-53-45)49(52)36-23-28-43(29-24-36)58-41-19-11-4-12-20-41/h1-34H
InChIKeyTVYUIFVAYVAGEH-UHFFFAOYSA-N
XLogP13.49
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500746.87
LogP ≤ 513.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7-bis(4-phenoxyphenyl)-2,3-diphenyl-6-quinoxalin-6-ylquinoxaline?
The IUPAC name of 5,7-bis(4-phenoxyphenyl)-2,3-diphenyl-6-quinoxalin-6-ylquinoxaline (CID 19850016) is 5,7-bis(4-phenoxyphenyl)-2,3-diphenyl-6-quinoxalin-6-ylquinoxaline.
What is the SMILES notation for 5,7-bis(4-phenoxyphenyl)-2,3-diphenyl-6-quinoxalin-6-ylquinoxaline?
The canonical SMILES for 5,7-bis(4-phenoxyphenyl)-2,3-diphenyl-6-quinoxalin-6-ylquinoxaline is c1ccc(Oc2ccc(-c3cc4nc(-c5ccccc5)c(-c5ccccc5)nc4c(-c4ccc(Oc5ccccc5)cc4)c3-c3ccc4nccnc4c3)cc2)cc1.
What is the InChIKey of 5,7-bis(4-phenoxyphenyl)-2,3-diphenyl-6-quinoxalin-6-ylquinoxaline?
The InChIKey is TVYUIFVAYVAGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4O2/c1-5-13-37(14-6-1)50-51(38-15-7-2-8-16-38)56-52-47(55-50)34-44(35-21-26-42(27-22-35)57-40-17-9-3-10-18-40)48(39-25-30-45-46(33-39)54-32-31-53-45)49(52)36-23-28-43(29-24-36)58-41-19-11-4-12-20-41/h1-34H.
What are the key properties of 5,7-bis(4-phenoxyphenyl)-2,3-diphenyl-6-quinoxalin-6-ylquinoxaline?
5,7-bis(4-phenoxyphenyl)-2,3-diphenyl-6-quinoxalin-6-ylquinoxaline has a molecular weight of 746.87 g/mol, XLogP of 13.49, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis(4-phenoxyphenyl)-2,3-diphenyl-6-quinoxalin-6-ylquinoxaline is sourced from PubChem (CID 19850016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).