5-(4-nitrophenyl)-10,12-diphenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

C24H15N7O2 — CID 25136488

IUPAC5-(4-nitrophenyl)-10,12-diphenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESO=[N+]([O-])c1ccc(-c2nnc3c4c(-c5ccccc5)nn(-c5ccccc5)c4ncn23)cc1
InChIInChI=1S/C24H15N7O2/c32-31(33)19-13-11-17(12-14-19)22-26-27-24-20-21(16-7-3-1-4-8-16)28-30(18-9-5-2-6-10-18)23(20)25-15-29(22)24/h1-15H
InChIKeyDJVTVFOOGLGLNF-UHFFFAOYSA-N
MW433.43 g/mol
LogP4.71
Rot. Bonds4

About 5-(4-nitrophenyl)-10,12-diphenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene

5-(4-nitrophenyl)-10,12-diphenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (PubChem CID 25136488) has the molecular formula C24H15N7O2 and a molecular weight of 433.43 g/mol. Its IUPAC name is 5-(4-nitrophenyl)-10,12-diphenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.

Molecular Properties

Compound Name5-(4-nitrophenyl)-10,12-diphenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
PubChem CID25136488
Molecular FormulaC24H15N7O2
Molecular Weight433.43 g/mol
Exact Mass433.13
IUPAC Name5-(4-nitrophenyl)-10,12-diphenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
SMILESO=[N+]([O-])c1ccc(-c2nnc3c4c(-c5ccccc5)nn(-c5ccccc5)c4ncn23)cc1
InChIInChI=1S/C24H15N7O2/c32-31(33)19-13-11-17(12-14-19)22-26-27-24-20-21(16-7-3-1-4-8-16)28-30(18-9-5-2-6-10-18)23(20)25-15-29(22)24/h1-15H
InChIKeyDJVTVFOOGLGLNF-UHFFFAOYSA-N
XLogP4.71
TPSA104.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-(4-nitrophenyl)-10,12-diphenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene with MolForge

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Related Compounds

5-naphthalen-1-yl-10,12-diphenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 25136493
5-methyl-3-(4-nitrophenyl)-1-phenylpyrazol-4-ol
CID 15026182
1-(4-nitrophenyl)-3,4,5-triphenylpyrazole
CID 59515058
3-(4-methylphenyl)-1-(4-nitrophenyl)indazole
CID 10215228
3-methyl-5-(4-nitrophenyl)-1-phenylpyrazole-4-carboxylic acid
CID 15448847
10,12-diphenyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 10935869
5-methyl-N-(4-nitrophenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 19473299
4-amino-2-(4-nitrophenyl)-5-phenylpyrazole-3-carbonitrile
CID 102139340
5-(4-nitrophenoxy)-1,3-diphenyl-1,2,4-triazole
CID 127256525
5-(4-nitrophenyl)-1-phenylpyrazole-3-carboxylic acid
CID 2771356
1-methyl-4-(4-nitrophenyl)-2,5-diphenylimidazole
CID 53243899
4-[4-(4-nitrophenoxy)phenyl]-2-(4-nitrophenyl)phthalazin-1-one
CID 71358092

Frequently Asked Questions

What is the IUPAC name of 5-(4-nitrophenyl)-10,12-diphenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The IUPAC name of 5-(4-nitrophenyl)-10,12-diphenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene (CID 25136488) is 5-(4-nitrophenyl)-10,12-diphenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
What is the SMILES notation for 5-(4-nitrophenyl)-10,12-diphenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The canonical SMILES for 5-(4-nitrophenyl)-10,12-diphenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is O=[N+]([O-])c1ccc(-c2nnc3c4c(-c5ccccc5)nn(-c5ccccc5)c4ncn23)cc1.
What is the InChIKey of 5-(4-nitrophenyl)-10,12-diphenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
The InChIKey is DJVTVFOOGLGLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N7O2/c32-31(33)19-13-11-17(12-14-19)22-26-27-24-20-21(16-7-3-1-4-8-16)28-30(18-9-5-2-6-10-18)23(20)25-15-29(22)24/h1-15H.
What are the key properties of 5-(4-nitrophenyl)-10,12-diphenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene?
5-(4-nitrophenyl)-10,12-diphenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene has a molecular weight of 433.43 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-nitrophenyl)-10,12-diphenyl-3,4,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene is sourced from PubChem (CID 25136488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).