[1-(6-cyclopentyl-2-pyridinyl)-2-trimethylsilylethyl]-(2,4,6-trimethylphenyl)azanide;methanidylbenzene;zirconium(4+)

C38H48N2SiZr — CID 59600745

About [1-(6-cyclopentyl-2-pyridinyl)-2-trimethylsilylethyl]-(2,4,6-trimethylphenyl)azanide;methanidylbenzene;zirconium(4+)

[1-(6-cyclopentyl-2-pyridinyl)-2-trimethylsilylethyl]-(2,4,6-trimethylphenyl)azanide;methanidylbenzene;zirconium(4+) (PubChem CID 59600745) has the molecular formula C38H48N2SiZr and a molecular weight of 652.13 g/mol. Its IUPAC name is [1-(6-cyclopentyl-2-pyridinyl)-2-trimethylsilylethyl]-(2,4,6-trimethylphenyl)azanide;methanidylbenzene;zirconium(4+).

Molecular Properties

• Compound Name: [1-(6-cyclopentyl-2-pyridinyl)-2-trimethylsilylethyl]-(2,4,6-trimethylphenyl)azanide;methanidylbenzene;zirconium(4+)
• PubChem CID: 59600745
• Molecular Formula: C38H48N2SiZr
• Molecular Weight: 652.13 g/mol
• Exact Mass: 650.26
• IUPAC Name: [1-(6-cyclopentyl-2-pyridinyl)-2-trimethylsilylethyl]-(2,4,6-trimethylphenyl)azanide;methanidylbenzene;zirconium(4+)
• SMILES: Cc1cc(C)c([N-]C(C[Si](C)(C)C)c2cccc(C3[CH-]CCC3)n2)c(C)c1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Zr+4]
• InChI: InChI=1S/C24H34N2Si.2C7H7.Zr/c1-17-14-18(2)24(19(3)15-17)26-23(16-27(4,5)6)22-13-9-12-21(25-22)20-10-7-8-11-20;2*1-7-5-3-2-4-6-7;/h9-10,12-15,20,23H,7-8,11,16H2,1-6H3;2*2-6H,1H2;/q-2;2*-1;+4
• InChIKey: YUFIAQDSBFCWTO-UHFFFAOYSA-N
• XLogP: 11.30
• TPSA: 26.99 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	652.13
LogP ≤ 5	11.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-(6-cyclopentyl-2-pyridinyl)-2-trimethylsilylethyl]-(2,4,6-trimethylphenyl)azanide;methanidylbenzene;zirconium(4+)?

The IUPAC name of [1-(6-cyclopentyl-2-pyridinyl)-2-trimethylsilylethyl]-(2,4,6-trimethylphenyl)azanide;methanidylbenzene;zirconium(4+) (CID 59600745) is [1-(6-cyclopentyl-2-pyridinyl)-2-trimethylsilylethyl]-(2,4,6-trimethylphenyl)azanide;methanidylbenzene;zirconium(4+).

What is the SMILES notation for [1-(6-cyclopentyl-2-pyridinyl)-2-trimethylsilylethyl]-(2,4,6-trimethylphenyl)azanide;methanidylbenzene;zirconium(4+)?

The canonical SMILES for [1-(6-cyclopentyl-2-pyridinyl)-2-trimethylsilylethyl]-(2,4,6-trimethylphenyl)azanide;methanidylbenzene;zirconium(4+) is Cc1cc(C)c([N-]C(C[Si](C)(C)C)c2cccc(C3[CH-]CCC3)n2)c(C)c1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Zr+4].

What is the InChIKey of [1-(6-cyclopentyl-2-pyridinyl)-2-trimethylsilylethyl]-(2,4,6-trimethylphenyl)azanide;methanidylbenzene;zirconium(4+)?

The InChIKey is YUFIAQDSBFCWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2Si.2C7H7.Zr/c1-17-14-18(2)24(19(3)15-17)26-23(16-27(4,5)6)22-13-9-12-21(25-22)20-10-7-8-11-20;2*1-7-5-3-2-4-6-7;/h9-10,12-15,20,23H,7-8,11,16H2,1-6H3;2*2-6H,1H2;/q-2;2*-1;+4.

What are the key properties of [1-(6-cyclopentyl-2-pyridinyl)-2-trimethylsilylethyl]-(2,4,6-trimethylphenyl)azanide;methanidylbenzene;zirconium(4+)?

[1-(6-cyclopentyl-2-pyridinyl)-2-trimethylsilylethyl]-(2,4,6-trimethylphenyl)azanide;methanidylbenzene;zirconium(4+) has a molecular weight of 652.13 g/mol, XLogP of 11.30, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(6-cyclopentyl-2-pyridinyl)-2-trimethylsilylethyl]-(2,4,6-trimethylphenyl)azanide;methanidylbenzene;zirconium(4+) is sourced from PubChem (CID 59600745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).