5-nitro-2-(5-nitro-1H-indol-3-yl)-3-nitroso-1H-indole

C16H9N5O5 — CID 118734932

IUPAC5-nitro-2-(5-nitro-1H-indol-3-yl)-3-nitroso-1H-indole
SMILESO=Nc1c(-c2c[nH]c3ccc([N+](=O)[O-])cc23)[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C16H9N5O5/c22-19-16-11-6-9(21(25)26)2-4-14(11)18-15(16)12-7-17-13-3-1-8(20(23)24)5-10(12)13/h1-7,17-18H
InChIKeyRZKFJSPVGSWBSZ-UHFFFAOYSA-N
MW351.28 g/mol
LogP4.53
Rot. Bonds4

About 5-nitro-2-(5-nitro-1H-indol-3-yl)-3-nitroso-1H-indole

5-nitro-2-(5-nitro-1H-indol-3-yl)-3-nitroso-1H-indole (PubChem CID 118734932) has the molecular formula C16H9N5O5 and a molecular weight of 351.28 g/mol. Its IUPAC name is 5-nitro-2-(5-nitro-1H-indol-3-yl)-3-nitroso-1H-indole.

Molecular Properties

Compound Name5-nitro-2-(5-nitro-1H-indol-3-yl)-3-nitroso-1H-indole
PubChem CID118734932
Molecular FormulaC16H9N5O5
Molecular Weight351.28 g/mol
Exact Mass351.06
IUPAC Name5-nitro-2-(5-nitro-1H-indol-3-yl)-3-nitroso-1H-indole
SMILESO=Nc1c(-c2c[nH]c3ccc([N+](=O)[O-])cc23)[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C16H9N5O5/c22-19-16-11-6-9(21(25)26)2-4-14(11)18-15(16)12-7-17-13-3-1-8(20(23)24)5-10(12)13/h1-7,17-18H
InChIKeyRZKFJSPVGSWBSZ-UHFFFAOYSA-N
XLogP4.53
TPSA147.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-(5-nitro-1H-indol-3-yl)-3-nitroso-1H-indole?
The IUPAC name of 5-nitro-2-(5-nitro-1H-indol-3-yl)-3-nitroso-1H-indole (CID 118734932) is 5-nitro-2-(5-nitro-1H-indol-3-yl)-3-nitroso-1H-indole.
What is the SMILES notation for 5-nitro-2-(5-nitro-1H-indol-3-yl)-3-nitroso-1H-indole?
The canonical SMILES for 5-nitro-2-(5-nitro-1H-indol-3-yl)-3-nitroso-1H-indole is O=Nc1c(-c2c[nH]c3ccc([N+](=O)[O-])cc23)[nH]c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of 5-nitro-2-(5-nitro-1H-indol-3-yl)-3-nitroso-1H-indole?
The InChIKey is RZKFJSPVGSWBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9N5O5/c22-19-16-11-6-9(21(25)26)2-4-14(11)18-15(16)12-7-17-13-3-1-8(20(23)24)5-10(12)13/h1-7,17-18H.
What are the key properties of 5-nitro-2-(5-nitro-1H-indol-3-yl)-3-nitroso-1H-indole?
5-nitro-2-(5-nitro-1H-indol-3-yl)-3-nitroso-1H-indole has a molecular weight of 351.28 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-(5-nitro-1H-indol-3-yl)-3-nitroso-1H-indole is sourced from PubChem (CID 118734932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).