2,3-diphenyl-1,4-dihydronaphtho[3,2-g]quinoxaline-5,6,11,12-tetrone

C28H16N2O4 — CID 15134072

IUPAC2,3-diphenyl-1,4-dihydronaphtho[3,2-g]quinoxaline-5,6,11,12-tetrone
SMILESO=c1c2ccccc2c(=O)c2c(=O)c3[nH]c(-c4ccccc4)c(-c4ccccc4)[nH]c3c(=O)c12
InChIInChI=1S/C28H16N2O4/c31-25-17-13-7-8-14-18(17)26(32)20-19(25)27(33)23-24(28(20)34)30-22(16-11-5-2-6-12-16)21(29-23)15-9-3-1-4-10-15/h1-14,29-30H
InChIKeyXMYXVBYAATVHLC-UHFFFAOYSA-N
MW444.45 g/mol
LogP4.01
Rot. Bonds2

About 2,3-diphenyl-1,4-dihydronaphtho[3,2-g]quinoxaline-5,6,11,12-tetrone

2,3-diphenyl-1,4-dihydronaphtho[3,2-g]quinoxaline-5,6,11,12-tetrone (PubChem CID 15134072) has the molecular formula C28H16N2O4 and a molecular weight of 444.45 g/mol. Its IUPAC name is 2,3-diphenyl-1,4-dihydronaphtho[3,2-g]quinoxaline-5,6,11,12-tetrone.

Molecular Properties

Compound Name2,3-diphenyl-1,4-dihydronaphtho[3,2-g]quinoxaline-5,6,11,12-tetrone
PubChem CID15134072
Molecular FormulaC28H16N2O4
Molecular Weight444.45 g/mol
Exact Mass444.11
IUPAC Name2,3-diphenyl-1,4-dihydronaphtho[3,2-g]quinoxaline-5,6,11,12-tetrone
SMILESO=c1c2ccccc2c(=O)c2c(=O)c3[nH]c(-c4ccccc4)c(-c4ccccc4)[nH]c3c(=O)c12
InChIInChI=1S/C28H16N2O4/c31-25-17-13-7-8-14-18(17)26(32)20-19(25)27(33)23-24(28(20)34)30-22(16-11-5-2-6-12-16)21(29-23)15-9-3-1-4-10-15/h1-14,29-30H
InChIKeyXMYXVBYAATVHLC-UHFFFAOYSA-N
XLogP4.01
TPSA99.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.45
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2,3-diphenyl-1,4-dihydronaphtho[3,2-g]quinoxaline-5,6,11,12-tetrone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-1,4-dihydronaphtho[3,2-g]quinoxaline-5,6,11,12-tetrone?
The IUPAC name of 2,3-diphenyl-1,4-dihydronaphtho[3,2-g]quinoxaline-5,6,11,12-tetrone (CID 15134072) is 2,3-diphenyl-1,4-dihydronaphtho[3,2-g]quinoxaline-5,6,11,12-tetrone.
What is the SMILES notation for 2,3-diphenyl-1,4-dihydronaphtho[3,2-g]quinoxaline-5,6,11,12-tetrone?
The canonical SMILES for 2,3-diphenyl-1,4-dihydronaphtho[3,2-g]quinoxaline-5,6,11,12-tetrone is O=c1c2ccccc2c(=O)c2c(=O)c3[nH]c(-c4ccccc4)c(-c4ccccc4)[nH]c3c(=O)c12.
What is the InChIKey of 2,3-diphenyl-1,4-dihydronaphtho[3,2-g]quinoxaline-5,6,11,12-tetrone?
The InChIKey is XMYXVBYAATVHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16N2O4/c31-25-17-13-7-8-14-18(17)26(32)20-19(25)27(33)23-24(28(20)34)30-22(16-11-5-2-6-12-16)21(29-23)15-9-3-1-4-10-15/h1-14,29-30H.
What are the key properties of 2,3-diphenyl-1,4-dihydronaphtho[3,2-g]quinoxaline-5,6,11,12-tetrone?
2,3-diphenyl-1,4-dihydronaphtho[3,2-g]quinoxaline-5,6,11,12-tetrone has a molecular weight of 444.45 g/mol, XLogP of 4.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-1,4-dihydronaphtho[3,2-g]quinoxaline-5,6,11,12-tetrone is sourced from PubChem (CID 15134072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).