1,5,7-tri(butan-2-yl)-2,4,8,10-tetramethyl-11-propyl-1,7-diaza-5,11-diazonia-6-silaspiro[5.5]undeca-2,4,8,10-tetraene

C25H48N4Si+2 — CID 123778578

About 1,5,7-tri(butan-2-yl)-2,4,8,10-tetramethyl-11-propyl-1,7-diaza-5,11-diazonia-6-silaspiro[5.5]undeca-2,4,8,10-tetraene

1,5,7-tri(butan-2-yl)-2,4,8,10-tetramethyl-11-propyl-1,7-diaza-5,11-diazonia-6-silaspiro[5.5]undeca-2,4,8,10-tetraene (PubChem CID 123778578) has the molecular formula C25H48N4Si+2 and a molecular weight of 432.77 g/mol. Its IUPAC name is 1,5,7-tri(butan-2-yl)-2,4,8,10-tetramethyl-11-propyl-1,7-diaza-5,11-diazonia-6-silaspiro[5.5]undeca-2,4,8,10-tetraene.

Molecular Properties

• Compound Name: 1,5,7-tri(butan-2-yl)-2,4,8,10-tetramethyl-11-propyl-1,7-diaza-5,11-diazonia-6-silaspiro[5.5]undeca-2,4,8,10-tetraene
• PubChem CID: 123778578
• Molecular Formula: C25H48N4Si+2
• Molecular Weight: 432.77 g/mol
• Exact Mass: 432.36
• IUPAC Name: 1,5,7-tri(butan-2-yl)-2,4,8,10-tetramethyl-11-propyl-1,7-diaza-5,11-diazonia-6-silaspiro[5.5]undeca-2,4,8,10-tetraene
• SMILES: CCC[N+]1=C(C)C=C(C)N(C(C)CC)[Si]12N(C(C)CC)C(C)=CC(C)=[N+]2C(C)CC
• InChI: InChI=1S/C25H48N4Si/c1-12-16-26-22(8)17-23(9)27(19(5)13-2)30(26)28(20(6)14-3)24(10)18-25(11)29(30)21(7)15-4/h17-21H,12-16H2,1-11H3/q+2
• InChIKey: BPLNHFRRWJZNMV-UHFFFAOYSA-N
• XLogP: 5.61
• TPSA: 12.50 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.77
LogP ≤ 5	5.61
H-Bond Donors ≤ 5	0
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 1,5,7-tri(butan-2-yl)-2,4,8,10-tetramethyl-11-propyl-1,7-diaza-5,11-diazonia-6-silaspiro[5.5]undeca-2,4,8,10-tetraene?

The IUPAC name of 1,5,7-tri(butan-2-yl)-2,4,8,10-tetramethyl-11-propyl-1,7-diaza-5,11-diazonia-6-silaspiro[5.5]undeca-2,4,8,10-tetraene (CID 123778578) is 1,5,7-tri(butan-2-yl)-2,4,8,10-tetramethyl-11-propyl-1,7-diaza-5,11-diazonia-6-silaspiro[5.5]undeca-2,4,8,10-tetraene.

What is the SMILES notation for 1,5,7-tri(butan-2-yl)-2,4,8,10-tetramethyl-11-propyl-1,7-diaza-5,11-diazonia-6-silaspiro[5.5]undeca-2,4,8,10-tetraene?

The canonical SMILES for 1,5,7-tri(butan-2-yl)-2,4,8,10-tetramethyl-11-propyl-1,7-diaza-5,11-diazonia-6-silaspiro[5.5]undeca-2,4,8,10-tetraene is CCC[N+]1=C(C)C=C(C)N(C(C)CC)[Si]12N(C(C)CC)C(C)=CC(C)=[N+]2C(C)CC.

What is the InChIKey of 1,5,7-tri(butan-2-yl)-2,4,8,10-tetramethyl-11-propyl-1,7-diaza-5,11-diazonia-6-silaspiro[5.5]undeca-2,4,8,10-tetraene?

The InChIKey is BPLNHFRRWJZNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48N4Si/c1-12-16-26-22(8)17-23(9)27(19(5)13-2)30(26)28(20(6)14-3)24(10)18-25(11)29(30)21(7)15-4/h17-21H,12-16H2,1-11H3/q+2.

What are the key properties of 1,5,7-tri(butan-2-yl)-2,4,8,10-tetramethyl-11-propyl-1,7-diaza-5,11-diazonia-6-silaspiro[5.5]undeca-2,4,8,10-tetraene?

1,5,7-tri(butan-2-yl)-2,4,8,10-tetramethyl-11-propyl-1,7-diaza-5,11-diazonia-6-silaspiro[5.5]undeca-2,4,8,10-tetraene has a molecular weight of 432.77 g/mol, XLogP of 5.61, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1,5,7-tri(butan-2-yl)-2,4,8,10-tetramethyl-11-propyl-1,7-diaza-5,11-diazonia-6-silaspiro[5.5]undeca-2,4,8,10-tetraene is sourced from PubChem (CID 123778578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).