bis(trimethylsilyl)azanide;2,4-ditert-butyl-6-[[4-[(3,5-ditert-butyl-2-oxidophenyl)methyl]piperazin-1-yl]methyl]phenolate;oxolane;yttrium(3+)

C44H78N3O3Si2Y — CID 139107547

About bis(trimethylsilyl)azanide;2,4-ditert-butyl-6-[[4-[(3,5-ditert-butyl-2-oxidophenyl)methyl]piperazin-1-yl]methyl]phenolate;oxolane;yttrium(3+)

bis(trimethylsilyl)azanide;2,4-ditert-butyl-6-[[4-[(3,5-ditert-butyl-2-oxidophenyl)methyl]piperazin-1-yl]methyl]phenolate;oxolane;yttrium(3+) (PubChem CID 139107547) has the molecular formula C44H78N3O3Si2Y and a molecular weight of 842.20 g/mol. Its IUPAC name is bis(trimethylsilyl)azanide;2,4-ditert-butyl-6-[[4-[(3,5-ditert-butyl-2-oxidophenyl)methyl]piperazin-1-yl]methyl]phenolate;oxolane;yttrium(3+).

Molecular Properties

• Compound Name: bis(trimethylsilyl)azanide;2,4-ditert-butyl-6-[[4-[(3,5-ditert-butyl-2-oxidophenyl)methyl]piperazin-1-yl]methyl]phenolate;oxolane;yttrium(3+)
• PubChem CID: 139107547
• Molecular Formula: C44H78N3O3Si2Y
• Molecular Weight: 842.20 g/mol
• Exact Mass: 841.46
• IUPAC Name: bis(trimethylsilyl)azanide;2,4-ditert-butyl-6-[[4-[(3,5-ditert-butyl-2-oxidophenyl)methyl]piperazin-1-yl]methyl]phenolate;oxolane;yttrium(3+)
• SMILES: C1CCOC1.CC(C)(C)c1cc(CN2CCN(Cc3cc(C(C)(C)C)cc(C(C)(C)C)c3[O-])CC2)c([O-])c(C(C)(C)C)c1.C[Si](C)(C)[N-][Si](C)(C)C.[Y+3]
• InChI: InChI=1S/C34H54N2O2.C6H18NSi2.C4H8O.Y/c1-31(2,3)25-17-23(29(37)27(19-25)33(7,8)9)21-35-13-15-36(16-14-35)22-24-18-26(32(4,5)6)20-28(30(24)38)34(10,11)12;1-8(2,3)7-9(4,5)6;1-2-4-5-3-1;/h17-20,37-38H,13-16,21-22H2,1-12H3;1-6H3;1-4H2;/q;-1;;+3/p-2
• InChIKey: ZRBYVFUWPUEDMZ-UHFFFAOYSA-L
• XLogP: 10.17
• TPSA: 75.93 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	842.20
LogP ≤ 5	10.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(trimethylsilyl)azanide;2,4-ditert-butyl-6-[[4-[(3,5-ditert-butyl-2-oxidophenyl)methyl]piperazin-1-yl]methyl]phenolate;oxolane;yttrium(3+)?

The IUPAC name of bis(trimethylsilyl)azanide;2,4-ditert-butyl-6-[[4-[(3,5-ditert-butyl-2-oxidophenyl)methyl]piperazin-1-yl]methyl]phenolate;oxolane;yttrium(3+) (CID 139107547) is bis(trimethylsilyl)azanide;2,4-ditert-butyl-6-[[4-[(3,5-ditert-butyl-2-oxidophenyl)methyl]piperazin-1-yl]methyl]phenolate;oxolane;yttrium(3+).

What is the SMILES notation for bis(trimethylsilyl)azanide;2,4-ditert-butyl-6-[[4-[(3,5-ditert-butyl-2-oxidophenyl)methyl]piperazin-1-yl]methyl]phenolate;oxolane;yttrium(3+)?

The canonical SMILES for bis(trimethylsilyl)azanide;2,4-ditert-butyl-6-[[4-[(3,5-ditert-butyl-2-oxidophenyl)methyl]piperazin-1-yl]methyl]phenolate;oxolane;yttrium(3+) is C1CCOC1.CC(C)(C)c1cc(CN2CCN(Cc3cc(C(C)(C)C)cc(C(C)(C)C)c3[O-])CC2)c([O-])c(C(C)(C)C)c1.C[Si](C)(C)[N-][Si](C)(C)C.[Y+3].

What is the InChIKey of bis(trimethylsilyl)azanide;2,4-ditert-butyl-6-[[4-[(3,5-ditert-butyl-2-oxidophenyl)methyl]piperazin-1-yl]methyl]phenolate;oxolane;yttrium(3+)?

The InChIKey is ZRBYVFUWPUEDMZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C34H54N2O2.C6H18NSi2.C4H8O.Y/c1-31(2,3)25-17-23(29(37)27(19-25)33(7,8)9)21-35-13-15-36(16-14-35)22-24-18-26(32(4,5)6)20-28(30(24)38)34(10,11)12;1-8(2,3)7-9(4,5)6;1-2-4-5-3-1;/h17-20,37-38H,13-16,21-22H2,1-12H3;1-6H3;1-4H2;/q;-1;;+3/p-2.

What are the key properties of bis(trimethylsilyl)azanide;2,4-ditert-butyl-6-[[4-[(3,5-ditert-butyl-2-oxidophenyl)methyl]piperazin-1-yl]methyl]phenolate;oxolane;yttrium(3+)?

bis(trimethylsilyl)azanide;2,4-ditert-butyl-6-[[4-[(3,5-ditert-butyl-2-oxidophenyl)methyl]piperazin-1-yl]methyl]phenolate;oxolane;yttrium(3+) has a molecular weight of 842.20 g/mol, XLogP of 10.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for bis(trimethylsilyl)azanide;2,4-ditert-butyl-6-[[4-[(3,5-ditert-butyl-2-oxidophenyl)methyl]piperazin-1-yl]methyl]phenolate;oxolane;yttrium(3+) is sourced from PubChem (CID 139107547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).