1-(4-nitrophenyl)-5-phenyl-2-(4-phenylphenyl)-1,1a-dihydroazirino[1,2-a]quinoxaline

C33H23N3O2 — CID 102275823

IUPAC1-(4-nitrophenyl)-5-phenyl-2-(4-phenylphenyl)-1,1a-dihydroazirino[1,2-a]quinoxaline
SMILESO=[N+]([O-])c1ccc(C2C3C(c4ccc(-c5ccccc5)cc4)=Nc4cc(-c5ccccc5)ccc4N32)cc1
InChIInChI=1S/C33H23N3O2/c37-36(38)28-18-15-26(16-19-28)32-33-31(25-13-11-24(12-14-25)22-7-3-1-4-8-22)34-29-21-27(17-20-30(29)35(32)33)23-9-5-2-6-10-23/h1-21,32-33H
InChIKeyRYRRAQAUJMJDMK-UHFFFAOYSA-N
MW493.57 g/mol
LogP7.99
Rot. Bonds5

About 1-(4-nitrophenyl)-5-phenyl-2-(4-phenylphenyl)-1,1a-dihydroazirino[1,2-a]quinoxaline

1-(4-nitrophenyl)-5-phenyl-2-(4-phenylphenyl)-1,1a-dihydroazirino[1,2-a]quinoxaline (PubChem CID 102275823) has the molecular formula C33H23N3O2 and a molecular weight of 493.57 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-5-phenyl-2-(4-phenylphenyl)-1,1a-dihydroazirino[1,2-a]quinoxaline.

Molecular Properties

Compound Name1-(4-nitrophenyl)-5-phenyl-2-(4-phenylphenyl)-1,1a-dihydroazirino[1,2-a]quinoxaline
PubChem CID102275823
Molecular FormulaC33H23N3O2
Molecular Weight493.57 g/mol
Exact Mass493.18
IUPAC Name1-(4-nitrophenyl)-5-phenyl-2-(4-phenylphenyl)-1,1a-dihydroazirino[1,2-a]quinoxaline
SMILESO=[N+]([O-])c1ccc(C2C3C(c4ccc(-c5ccccc5)cc4)=Nc4cc(-c5ccccc5)ccc4N32)cc1
InChIInChI=1S/C33H23N3O2/c37-36(38)28-18-15-26(16-19-28)32-33-31(25-13-11-24(12-14-25)22-7-3-1-4-8-22)34-29-21-27(17-20-30(29)35(32)33)23-9-5-2-6-10-23/h1-21,32-33H
InChIKeyRYRRAQAUJMJDMK-UHFFFAOYSA-N
XLogP7.99
TPSA58.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.57
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1-(4-nitrophenyl)-5-phenyl-2-(4-phenylphenyl)-1,1a-dihydroazirino[1,2-a]quinoxaline with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-5,6-dimethyl-1-(4-nitrophenyl)-1,1a-dihydroazirino[1,2-a]quinoxaline
CID 3602773
5,6-dimethyl-1-(4-nitrophenyl)-2-(4-pentylphenyl)-1,1a-dihydroazirino[1,2-a]quinoxaline
CID 19590346
(1R,1aR)-2-[4-(difluoromethoxy)phenyl]-5,6-dimethyl-1-(4-nitrophenyl)-1,1a-dihydroazirino[1,2-a]quinoxaline
CID 27307962
(2S,5S)-2-methyl-6-(4-nitrophenyl)-4-phenyl-1,3-diazabicyclo[3.1.0]hex-3-ene
CID 75539302
bis(1-nitro-4-phenylbenzene);sulfur dioxide
CID 174751271
formaldehyde;bis(1-nitro-4-phenylbenzene)
CID 174842779
4-(4-nitrophenyl)-2,6-diphenylpyridine
CID 631783
1-nitro-4-phenylbenzene;sulfurochloridic acid
CID 23180093
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene
CID 6242844
4-[3-(4-nitrophenyl)phenyl]-N,N-bis[4-[3-(4-nitrophenyl)phenyl]phenyl]aniline
CID 59757686
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
1-(4-nitrophenyl)-4-[1,2,2-tris[4-(4-nitrophenyl)phenyl]ethyl]benzene
CID 164575801

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-5-phenyl-2-(4-phenylphenyl)-1,1a-dihydroazirino[1,2-a]quinoxaline?
The IUPAC name of 1-(4-nitrophenyl)-5-phenyl-2-(4-phenylphenyl)-1,1a-dihydroazirino[1,2-a]quinoxaline (CID 102275823) is 1-(4-nitrophenyl)-5-phenyl-2-(4-phenylphenyl)-1,1a-dihydroazirino[1,2-a]quinoxaline.
What is the SMILES notation for 1-(4-nitrophenyl)-5-phenyl-2-(4-phenylphenyl)-1,1a-dihydroazirino[1,2-a]quinoxaline?
The canonical SMILES for 1-(4-nitrophenyl)-5-phenyl-2-(4-phenylphenyl)-1,1a-dihydroazirino[1,2-a]quinoxaline is O=[N+]([O-])c1ccc(C2C3C(c4ccc(-c5ccccc5)cc4)=Nc4cc(-c5ccccc5)ccc4N32)cc1.
What is the InChIKey of 1-(4-nitrophenyl)-5-phenyl-2-(4-phenylphenyl)-1,1a-dihydroazirino[1,2-a]quinoxaline?
The InChIKey is RYRRAQAUJMJDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23N3O2/c37-36(38)28-18-15-26(16-19-28)32-33-31(25-13-11-24(12-14-25)22-7-3-1-4-8-22)34-29-21-27(17-20-30(29)35(32)33)23-9-5-2-6-10-23/h1-21,32-33H.
What are the key properties of 1-(4-nitrophenyl)-5-phenyl-2-(4-phenylphenyl)-1,1a-dihydroazirino[1,2-a]quinoxaline?
1-(4-nitrophenyl)-5-phenyl-2-(4-phenylphenyl)-1,1a-dihydroazirino[1,2-a]quinoxaline has a molecular weight of 493.57 g/mol, XLogP of 7.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)-5-phenyl-2-(4-phenylphenyl)-1,1a-dihydroazirino[1,2-a]quinoxaline is sourced from PubChem (CID 102275823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).