6-(2,3-diphenylquinoxalin-6-yl)-3-(3-nitrosophenyl)-2-phenylquinoxaline

C40H25N5O — CID 88990589

IUPAC6-(2,3-diphenylquinoxalin-6-yl)-3-(3-nitrosophenyl)-2-phenylquinoxaline
SMILESO=Nc1cccc(-c2nc3cc(-c4ccc5nc(-c6ccccc6)c(-c6ccccc6)nc5c4)ccc3nc2-c2ccccc2)c1
InChIInChI=1S/C40H25N5O/c46-45-32-18-10-17-31(23-32)40-39(28-15-8-3-9-16-28)42-34-22-20-30(25-36(34)44-40)29-19-21-33-35(24-29)43-38(27-13-6-2-7-14-27)37(41-33)26-11-4-1-5-12-26/h1-25H
InChIKeyWBEXJCPFZUWTNQ-UHFFFAOYSA-N
MW591.67 g/mol
LogP10.31
Rot. Bonds6

About 6-(2,3-diphenylquinoxalin-6-yl)-3-(3-nitrosophenyl)-2-phenylquinoxaline

6-(2,3-diphenylquinoxalin-6-yl)-3-(3-nitrosophenyl)-2-phenylquinoxaline (PubChem CID 88990589) has the molecular formula C40H25N5O and a molecular weight of 591.67 g/mol. Its IUPAC name is 6-(2,3-diphenylquinoxalin-6-yl)-3-(3-nitrosophenyl)-2-phenylquinoxaline.

Molecular Properties

Compound Name6-(2,3-diphenylquinoxalin-6-yl)-3-(3-nitrosophenyl)-2-phenylquinoxaline
PubChem CID88990589
Molecular FormulaC40H25N5O
Molecular Weight591.67 g/mol
Exact Mass591.21
IUPAC Name6-(2,3-diphenylquinoxalin-6-yl)-3-(3-nitrosophenyl)-2-phenylquinoxaline
SMILESO=Nc1cccc(-c2nc3cc(-c4ccc5nc(-c6ccccc6)c(-c6ccccc6)nc5c4)ccc3nc2-c2ccccc2)c1
InChIInChI=1S/C40H25N5O/c46-45-32-18-10-17-31(23-32)40-39(28-15-8-3-9-16-28)42-34-22-20-30(25-36(34)44-40)29-19-21-33-35(24-29)43-38(27-13-6-2-7-14-27)37(41-33)26-11-4-1-5-12-26/h1-25H
InChIKeyWBEXJCPFZUWTNQ-UHFFFAOYSA-N
XLogP10.31
TPSA80.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.67
LogP ≤ 510.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-diphenylquinoxalin-6-yl)-3-(3-nitrosophenyl)-2-phenylquinoxaline?
The IUPAC name of 6-(2,3-diphenylquinoxalin-6-yl)-3-(3-nitrosophenyl)-2-phenylquinoxaline (CID 88990589) is 6-(2,3-diphenylquinoxalin-6-yl)-3-(3-nitrosophenyl)-2-phenylquinoxaline.
What is the SMILES notation for 6-(2,3-diphenylquinoxalin-6-yl)-3-(3-nitrosophenyl)-2-phenylquinoxaline?
The canonical SMILES for 6-(2,3-diphenylquinoxalin-6-yl)-3-(3-nitrosophenyl)-2-phenylquinoxaline is O=Nc1cccc(-c2nc3cc(-c4ccc5nc(-c6ccccc6)c(-c6ccccc6)nc5c4)ccc3nc2-c2ccccc2)c1.
What is the InChIKey of 6-(2,3-diphenylquinoxalin-6-yl)-3-(3-nitrosophenyl)-2-phenylquinoxaline?
The InChIKey is WBEXJCPFZUWTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H25N5O/c46-45-32-18-10-17-31(23-32)40-39(28-15-8-3-9-16-28)42-34-22-20-30(25-36(34)44-40)29-19-21-33-35(24-29)43-38(27-13-6-2-7-14-27)37(41-33)26-11-4-1-5-12-26/h1-25H.
What are the key properties of 6-(2,3-diphenylquinoxalin-6-yl)-3-(3-nitrosophenyl)-2-phenylquinoxaline?
6-(2,3-diphenylquinoxalin-6-yl)-3-(3-nitrosophenyl)-2-phenylquinoxaline has a molecular weight of 591.67 g/mol, XLogP of 10.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-diphenylquinoxalin-6-yl)-3-(3-nitrosophenyl)-2-phenylquinoxaline is sourced from PubChem (CID 88990589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).