[8a-[(4-nitrophenyl)diazenyl]-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-yl]-(4-nitrophenyl)diazene

C22H24N6O4 — CID 12828362

IUPAC[8a-[(4-nitrophenyl)diazenyl]-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-yl]-(4-nitrophenyl)diazene
SMILESO=[N+]([O-])c1ccc(/N=N/C23CCCCC2(/N=N/c2ccc([N+](=O)[O-])cc2)CCCC3)cc1
InChIInChI=1S/C22H24N6O4/c29-27(30)19-9-5-17(6-10-19)23-25-21-13-1-2-14-22(21,16-4-3-15-21)26-24-18-7-11-20(12-8-18)28(31)32/h5-12H,1-4,13-16H2/b25-23+,26-24+
InChIKeyIUARWSHXHKGZAU-OGGGYYITSA-N
MW436.47 g/mol
LogP7.00
Rot. Bonds6

About [8a-[(4-nitrophenyl)diazenyl]-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-yl]-(4-nitrophenyl)diazene

[8a-[(4-nitrophenyl)diazenyl]-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-yl]-(4-nitrophenyl)diazene (PubChem CID 12828362) has the molecular formula C22H24N6O4 and a molecular weight of 436.47 g/mol. Its IUPAC name is [8a-[(4-nitrophenyl)diazenyl]-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-yl]-(4-nitrophenyl)diazene.

Molecular Properties

Compound Name[8a-[(4-nitrophenyl)diazenyl]-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-yl]-(4-nitrophenyl)diazene
PubChem CID12828362
Molecular FormulaC22H24N6O4
Molecular Weight436.47 g/mol
Exact Mass436.19
IUPAC Name[8a-[(4-nitrophenyl)diazenyl]-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-yl]-(4-nitrophenyl)diazene
SMILESO=[N+]([O-])c1ccc(/N=N/C23CCCCC2(/N=N/c2ccc([N+](=O)[O-])cc2)CCCC3)cc1
InChIInChI=1S/C22H24N6O4/c29-27(30)19-9-5-17(6-10-19)23-25-21-13-1-2-14-22(21,16-4-3-15-21)26-24-18-7-11-20(12-8-18)28(31)32/h5-12H,1-4,13-16H2/b25-23+,26-24+
InChIKeyIUARWSHXHKGZAU-OGGGYYITSA-N
XLogP7.00
TPSA135.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.47
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [8a-[(4-nitrophenyl)diazenyl]-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-yl]-(4-nitrophenyl)diazene?
The IUPAC name of [8a-[(4-nitrophenyl)diazenyl]-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-yl]-(4-nitrophenyl)diazene (CID 12828362) is [8a-[(4-nitrophenyl)diazenyl]-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-yl]-(4-nitrophenyl)diazene.
What is the SMILES notation for [8a-[(4-nitrophenyl)diazenyl]-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-yl]-(4-nitrophenyl)diazene?
The canonical SMILES for [8a-[(4-nitrophenyl)diazenyl]-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-yl]-(4-nitrophenyl)diazene is O=[N+]([O-])c1ccc(/N=N/C23CCCCC2(/N=N/c2ccc([N+](=O)[O-])cc2)CCCC3)cc1.
What is the InChIKey of [8a-[(4-nitrophenyl)diazenyl]-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-yl]-(4-nitrophenyl)diazene?
The InChIKey is IUARWSHXHKGZAU-OGGGYYITSA-N. The full InChI is InChI=1S/C22H24N6O4/c29-27(30)19-9-5-17(6-10-19)23-25-21-13-1-2-14-22(21,16-4-3-15-21)26-24-18-7-11-20(12-8-18)28(31)32/h5-12H,1-4,13-16H2/b25-23+,26-24+.
What are the key properties of [8a-[(4-nitrophenyl)diazenyl]-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-yl]-(4-nitrophenyl)diazene?
[8a-[(4-nitrophenyl)diazenyl]-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-yl]-(4-nitrophenyl)diazene has a molecular weight of 436.47 g/mol, XLogP of 7.00, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [8a-[(4-nitrophenyl)diazenyl]-1,2,3,4,5,6,7,8-octahydronaphthalen-4a-yl]-(4-nitrophenyl)diazene is sourced from PubChem (CID 12828362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).