5-(4-nitrophenyl)-2-phenylindolizine

C20H14N2O2 — CID 102334469

IUPAC5-(4-nitrophenyl)-2-phenylindolizine
SMILESO=[N+]([O-])c1ccc(-c2cccc3cc(-c4ccccc4)cn23)cc1
InChIInChI=1S/C20H14N2O2/c23-22(24)18-11-9-16(10-12-18)20-8-4-7-19-13-17(14-21(19)20)15-5-2-1-3-6-15/h1-14H
InChIKeyOYQQCANAXVTTOA-UHFFFAOYSA-N
MW314.34 g/mol
LogP5.18
Rot. Bonds3

About 5-(4-nitrophenyl)-2-phenylindolizine

5-(4-nitrophenyl)-2-phenylindolizine (PubChem CID 102334469) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is 5-(4-nitrophenyl)-2-phenylindolizine.

Molecular Properties

Compound Name5-(4-nitrophenyl)-2-phenylindolizine
PubChem CID102334469
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Name5-(4-nitrophenyl)-2-phenylindolizine
SMILESO=[N+]([O-])c1ccc(-c2cccc3cc(-c4ccccc4)cn23)cc1
InChIInChI=1S/C20H14N2O2/c23-22(24)18-11-9-16(10-12-18)20-8-4-7-19-13-17(14-21(19)20)15-5-2-1-3-6-15/h1-14H
InChIKeyOYQQCANAXVTTOA-UHFFFAOYSA-N
XLogP5.18
TPSA47.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.34
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-nitro-2-phenylindolizine
CID 71732760
formaldehyde;bis(1-nitro-4-phenylbenzene)
CID 174842779
bis(1-nitro-4-phenylbenzene);sulfur dioxide
CID 174751271
4-(4-nitrophenyl)-2,6-diphenylpyridine
CID 631783
4-(1-phenylindolizin-5-yl)-N-[4-(1-phenylindolizin-5-yl)phenyl]-N-[4-(2-phenylindolizin-5-yl)phenyl]aniline
CID 146509239
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
4-methyl-2-(4-nitrophenyl)pyrrolo[1,2-a]benzimidazole
CID 12921129
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
3-(4-nitrophenyl)phenol
CID 15743438
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene
CID 6242844
1-methyl-5-(4-nitrophenyl)-2,3-diphenylpyrrole
CID 15163333
1-nitro-4-phenylbenzene;sulfurochloridic acid
CID 23180093

Frequently Asked Questions

What is the IUPAC name of 5-(4-nitrophenyl)-2-phenylindolizine?
The IUPAC name of 5-(4-nitrophenyl)-2-phenylindolizine (CID 102334469) is 5-(4-nitrophenyl)-2-phenylindolizine.
What is the SMILES notation for 5-(4-nitrophenyl)-2-phenylindolizine?
The canonical SMILES for 5-(4-nitrophenyl)-2-phenylindolizine is O=[N+]([O-])c1ccc(-c2cccc3cc(-c4ccccc4)cn23)cc1.
What is the InChIKey of 5-(4-nitrophenyl)-2-phenylindolizine?
The InChIKey is OYQQCANAXVTTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2/c23-22(24)18-11-9-16(10-12-18)20-8-4-7-19-13-17(14-21(19)20)15-5-2-1-3-6-15/h1-14H.
What are the key properties of 5-(4-nitrophenyl)-2-phenylindolizine?
5-(4-nitrophenyl)-2-phenylindolizine has a molecular weight of 314.34 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-nitrophenyl)-2-phenylindolizine is sourced from PubChem (CID 102334469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).