Tetraborylporphyrin

C₂₀H₁₀B₄N₄ — CID 25195400

About Tetraborylporphyrin

Tetraborylporphyrin (PubChem CID 25195400) has the molecular formula C₂₀H₁₀B₄N₄ and a molecular weight of 349.58 g/mol.

Molecular Properties

• Compound Name: Tetraborylporphyrin
• PubChem CID: 25195400
• Molecular Formula: C₂₀H₁₀B₄N₄
• Molecular Weight: 349.58 g/mol
• Exact Mass: 350.13
• IUPAC Name: —
• SMILES: [B]c1c2nc(c([B])c3ccc([nH]3)c([B])c3ccc([nH]3)c([B])c3nc1C=C3)C=C2
• InChI: InChI=1S/C20H10B4N4/c21-17-9-1-2-10(25-9)18(22)12-5-6-14(27-12)20(24)16-8-7-15(28-16)19(23)13-4-3-11(17)26-13/h1-8,25-26H/b17-9+,17-11+,18-10+,18-12+,19-13+,19-15+,20-14+,20-16+
• InChIKey: CLYKYEJJUMNBJF-OTHQCIQNSA-N
• XLogP: -0.17
• TPSA: 57.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	349.58
LogP ≤ 5	-0.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Tetraborylporphyrin?

The IUPAC name of Tetraborylporphyrin (CID 25195400) is not available.

What is the SMILES notation for Tetraborylporphyrin?

The canonical SMILES for Tetraborylporphyrin is [B]c1c2nc(c([B])c3ccc([nH]3)c([B])c3ccc([nH]3)c([B])c3nc1C=C3)C=C2.

What is the InChIKey of Tetraborylporphyrin?

The InChIKey is CLYKYEJJUMNBJF-OTHQCIQNSA-N. The full InChI is InChI=1S/C20H10B4N4/c21-17-9-1-2-10(25-9)18(22)12-5-6-14(27-12)20(24)16-8-7-15(28-16)19(23)13-4-3-11(17)26-13/h1-8,25-26H/b17-9+,17-11+,18-10+,18-12+,19-13+,19-15+,20-14+,20-16+.

What are the key properties of Tetraborylporphyrin?

Tetraborylporphyrin has a molecular weight of 349.58 g/mol, XLogP of -0.17, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for Tetraborylporphyrin is sourced from PubChem (CID 25195400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 25195400 — identifiers, structure, computed properties (public domain)

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