(1E,2E)-N,N'-dianilinoethanediimidoyl diazide

C14H12N10 — CID 11056298

IUPAC(1E,2E)-N,N'-dianilinoethanediimidoyl diazide
SMILES[N-]=[N+]=NC(=N/Nc1ccccc1)/C(N=[N+]=[N-])=N\Nc1ccccc1
InChIInChI=1S/C14H12N10/c15-23-21-13(19-17-11-7-3-1-4-8-11)14(22-24-16)20-18-12-9-5-2-6-10-12/h1-10,17-18H/b19-13+,20-14+
InChIKeyAUNHYVZNJGVURF-IWGRKNQJSA-N
MW320.32 g/mol
LogP4.46
Rot. Bonds4

About (1E,2E)-N,N'-dianilinoethanediimidoyl diazide

(1E,2E)-N,N'-dianilinoethanediimidoyl diazide (PubChem CID 11056298) has the molecular formula C14H12N10 and a molecular weight of 320.32 g/mol. Its IUPAC name is (1E,2E)-N,N'-dianilinoethanediimidoyl diazide.

Molecular Properties

Compound Name(1E,2E)-N,N'-dianilinoethanediimidoyl diazide
PubChem CID11056298
Molecular FormulaC14H12N10
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC Name(1E,2E)-N,N'-dianilinoethanediimidoyl diazide
SMILES[N-]=[N+]=NC(=N/Nc1ccccc1)/C(N=[N+]=[N-])=N\Nc1ccccc1
InChIInChI=1S/C14H12N10/c15-23-21-13(19-17-11-7-3-1-4-8-11)14(22-24-16)20-18-12-9-5-2-6-10-12/h1-10,17-18H/b19-13+,20-14+
InChIKeyAUNHYVZNJGVURF-IWGRKNQJSA-N
XLogP4.46
TPSA146.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E,2E)-N,N'-dianilinoethanediimidoyl diazide?
The IUPAC name of (1E,2E)-N,N'-dianilinoethanediimidoyl diazide (CID 11056298) is (1E,2E)-N,N'-dianilinoethanediimidoyl diazide.
What is the SMILES notation for (1E,2E)-N,N'-dianilinoethanediimidoyl diazide?
The canonical SMILES for (1E,2E)-N,N'-dianilinoethanediimidoyl diazide is [N-]=[N+]=NC(=N/Nc1ccccc1)/C(N=[N+]=[N-])=N\Nc1ccccc1.
What is the InChIKey of (1E,2E)-N,N'-dianilinoethanediimidoyl diazide?
The InChIKey is AUNHYVZNJGVURF-IWGRKNQJSA-N. The full InChI is InChI=1S/C14H12N10/c15-23-21-13(19-17-11-7-3-1-4-8-11)14(22-24-16)20-18-12-9-5-2-6-10-12/h1-10,17-18H/b19-13+,20-14+.
What are the key properties of (1E,2E)-N,N'-dianilinoethanediimidoyl diazide?
(1E,2E)-N,N'-dianilinoethanediimidoyl diazide has a molecular weight of 320.32 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,2E)-N,N'-dianilinoethanediimidoyl diazide is sourced from PubChem (CID 11056298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).