(2,3-diisocyanatophenyl)-phenyldiazene

C₁₄H₈N₄O₂ — CID 141212321

About (2,3-diisocyanatophenyl)-phenyldiazene

(2,3-diisocyanatophenyl)-phenyldiazene (PubChem CID 141212321) has the molecular formula C₁₄H₈N₄O₂ and a molecular weight of 264.24 g/mol. Its IUPAC name is (2,3-diisocyanatophenyl)-phenyldiazene.

Molecular Properties

• Compound Name: (2,3-diisocyanatophenyl)-phenyldiazene
• PubChem CID: 141212321
• Molecular Formula: C₁₄H₈N₄O₂
• Molecular Weight: 264.24 g/mol
• Exact Mass: 264.06
• IUPAC Name: (2,3-diisocyanatophenyl)-phenyldiazene
• SMILES: O=C=Nc1cccc(/N=N/c2ccccc2)c1N=C=O
• InChI: InChI=1S/C14H8N4O2/c19-9-15-12-7-4-8-13(14(12)16-10-20)18-17-11-5-2-1-3-6-11/h1-8H/b18-17+
• InChIKey: YSXZADBIOGMFFJ-ISLYRVAYSA-N
• XLogP: 4.04
• TPSA: 83.58 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	264.24
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2,3-diisocyanatophenyl)-phenyldiazene?

The IUPAC name of (2,3-diisocyanatophenyl)-phenyldiazene (CID 141212321) is (2,3-diisocyanatophenyl)-phenyldiazene.

What is the SMILES notation for (2,3-diisocyanatophenyl)-phenyldiazene?

The canonical SMILES for (2,3-diisocyanatophenyl)-phenyldiazene is O=C=Nc1cccc(/N=N/c2ccccc2)c1N=C=O.

What is the InChIKey of (2,3-diisocyanatophenyl)-phenyldiazene?

The InChIKey is YSXZADBIOGMFFJ-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H8N4O2/c19-9-15-12-7-4-8-13(14(12)16-10-20)18-17-11-5-2-1-3-6-11/h1-8H/b18-17+.

What are the key properties of (2,3-diisocyanatophenyl)-phenyldiazene?

(2,3-diisocyanatophenyl)-phenyldiazene has a molecular weight of 264.24 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2,3-diisocyanatophenyl)-phenyldiazene is sourced from PubChem (CID 141212321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 141212321 — identifiers, structure, computed properties (public domain)

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