bis[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]azanide;bis(bis(trimethylsilyl)azanide);samarium(3+)

C42H60N5O2Si4Sm — CID 139163623

About bis[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]azanide;bis(bis(trimethylsilyl)azanide);samarium(3+)

bis[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]azanide;bis(bis(trimethylsilyl)azanide);samarium(3+) (PubChem CID 139163623) has the molecular formula C42H60N5O2Si4Sm and a molecular weight of 929.68 g/mol. Its IUPAC name is bis[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]azanide;bis(bis(trimethylsilyl)azanide);samarium(3+).

Molecular Properties

• Compound Name: bis[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]azanide;bis(bis(trimethylsilyl)azanide);samarium(3+)
• PubChem CID: 139163623
• Molecular Formula: C42H60N5O2Si4Sm
• Molecular Weight: 929.68 g/mol
• Exact Mass: 930.30
• IUPAC Name: bis[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]azanide;bis(bis(trimethylsilyl)azanide);samarium(3+)
• SMILES: C[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.[Sm+3].c1ccc([C@@H]2COC(c3ccccc3[N-]c3ccccc3C3=N[C@H](c4ccccc4)CO3)=N2)cc1
• InChI: InChI=1S/C30H24N3O2.2C6H18NSi2.Sm/c1-3-11-21(12-4-1)27-19-34-29(32-27)23-15-7-9-17-25(23)31-26-18-10-8-16-24(26)30-33-28(20-35-30)22-13-5-2-6-14-22;2*1-8(2,3)7-9(4,5)6;/h1-18,27-28H,19-20H2;2*1-6H3;/q3*-1;+3/t27-,28-;;;/m0.../s1
• InChIKey: MBSYSIWEXJFUGS-HVVJQNAGSA-N
• XLogP: 13.12
• TPSA: 85.48 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	929.68
LogP ≤ 5	13.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]azanide;bis(bis(trimethylsilyl)azanide);samarium(3+)?

The IUPAC name of bis[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]azanide;bis(bis(trimethylsilyl)azanide);samarium(3+) (CID 139163623) is bis[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]azanide;bis(bis(trimethylsilyl)azanide);samarium(3+).

What is the SMILES notation for bis[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]azanide;bis(bis(trimethylsilyl)azanide);samarium(3+)?

The canonical SMILES for bis[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]azanide;bis(bis(trimethylsilyl)azanide);samarium(3+) is C[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.[Sm+3].c1ccc([C@@H]2COC(c3ccccc3[N-]c3ccccc3C3=N[C@H](c4ccccc4)CO3)=N2)cc1.

What is the InChIKey of bis[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]azanide;bis(bis(trimethylsilyl)azanide);samarium(3+)?

The InChIKey is MBSYSIWEXJFUGS-HVVJQNAGSA-N. The full InChI is InChI=1S/C30H24N3O2.2C6H18NSi2.Sm/c1-3-11-21(12-4-1)27-19-34-29(32-27)23-15-7-9-17-25(23)31-26-18-10-8-16-24(26)30-33-28(20-35-30)22-13-5-2-6-14-22;2*1-8(2,3)7-9(4,5)6;/h1-18,27-28H,19-20H2;2*1-6H3;/q3*-1;+3/t27-,28-;;;/m0.../s1.

What are the key properties of bis[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]azanide;bis(bis(trimethylsilyl)azanide);samarium(3+)?

bis[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]azanide;bis(bis(trimethylsilyl)azanide);samarium(3+) has a molecular weight of 929.68 g/mol, XLogP of 13.12, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for bis[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]azanide;bis(bis(trimethylsilyl)azanide);samarium(3+) is sourced from PubChem (CID 139163623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).