(3,5-dinitro-6-phenyldiazenyl-2-pyridinyl)-phenyldiazene

C17H11N7O4 — CID 141203331

IUPAC(3,5-dinitro-6-phenyldiazenyl-2-pyridinyl)-phenyldiazene
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(/N=N/c2ccccc2)nc1/N=N/c1ccccc1
InChIInChI=1S/C17H11N7O4/c25-23(26)14-11-15(24(27)28)17(22-20-13-9-5-2-6-10-13)18-16(14)21-19-12-7-3-1-4-8-12/h1-11H/b21-19+,22-20+
InChIKeyRHXDMQVFCKGZBO-FLFKKZLDSA-N
MW377.32 g/mol
LogP5.73
Rot. Bonds6

About (3,5-dinitro-6-phenyldiazenyl-2-pyridinyl)-phenyldiazene

(3,5-dinitro-6-phenyldiazenyl-2-pyridinyl)-phenyldiazene (PubChem CID 141203331) has the molecular formula C17H11N7O4 and a molecular weight of 377.32 g/mol. Its IUPAC name is (3,5-dinitro-6-phenyldiazenyl-2-pyridinyl)-phenyldiazene.

Molecular Properties

Compound Name(3,5-dinitro-6-phenyldiazenyl-2-pyridinyl)-phenyldiazene
PubChem CID141203331
Molecular FormulaC17H11N7O4
Molecular Weight377.32 g/mol
Exact Mass377.09
IUPAC Name(3,5-dinitro-6-phenyldiazenyl-2-pyridinyl)-phenyldiazene
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(/N=N/c2ccccc2)nc1/N=N/c1ccccc1
InChIInChI=1S/C17H11N7O4/c25-23(26)14-11-15(24(27)28)17(22-20-13-9-5-2-6-10-13)18-16(14)21-19-12-7-3-1-4-8-12/h1-11H/b21-19+,22-20+
InChIKeyRHXDMQVFCKGZBO-FLFKKZLDSA-N
XLogP5.73
TPSA148.61 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.32
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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 (3,5-dinitro-6-phenyldiazenyl-2-pyridinyl)-phenyldiazene?
The IUPAC name of (3,5-dinitro-6-phenyldiazenyl-2-pyridinyl)-phenyldiazene (CID 141203331) is (3,5-dinitro-6-phenyldiazenyl-2-pyridinyl)-phenyldiazene.
What is the SMILES notation for (3,5-dinitro-6-phenyldiazenyl-2-pyridinyl)-phenyldiazene?
The canonical SMILES for (3,5-dinitro-6-phenyldiazenyl-2-pyridinyl)-phenyldiazene is O=[N+]([O-])c1cc([N+](=O)[O-])c(/N=N/c2ccccc2)nc1/N=N/c1ccccc1.
What is the InChIKey of (3,5-dinitro-6-phenyldiazenyl-2-pyridinyl)-phenyldiazene?
The InChIKey is RHXDMQVFCKGZBO-FLFKKZLDSA-N. The full InChI is InChI=1S/C17H11N7O4/c25-23(26)14-11-15(24(27)28)17(22-20-13-9-5-2-6-10-13)18-16(14)21-19-12-7-3-1-4-8-12/h1-11H/b21-19+,22-20+.
What are the key properties of (3,5-dinitro-6-phenyldiazenyl-2-pyridinyl)-phenyldiazene?
(3,5-dinitro-6-phenyldiazenyl-2-pyridinyl)-phenyldiazene has a molecular weight of 377.32 g/mol, XLogP of 5.73, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dinitro-6-phenyldiazenyl-2-pyridinyl)-phenyldiazene is sourced from PubChem (CID 141203331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).