bis(dimethylsilyl)azanide;[2,6-di(propan-2-yl)phenyl]-[(R)-(2-propan-2-ylphenyl)-(6-pyrrol-1-id-2-yl-2-pyridinyl)methyl]azanide;oxolane;scandium(3+)

C39H57N4OScSi2 — CID 139100631

About bis(dimethylsilyl)azanide;[2,6-di(propan-2-yl)phenyl]-[(R)-(2-propan-2-ylphenyl)-(6-pyrrol-1-id-2-yl-2-pyridinyl)methyl]azanide;oxolane;scandium(3+)

bis(dimethylsilyl)azanide;[2,6-di(propan-2-yl)phenyl]-[(R)-(2-propan-2-ylphenyl)-(6-pyrrol-1-id-2-yl-2-pyridinyl)methyl]azanide;oxolane;scandium(3+) (PubChem CID 139100631) has the molecular formula C39H57N4OScSi2 and a molecular weight of 699.04 g/mol. Its IUPAC name is bis(dimethylsilyl)azanide;[2,6-di(propan-2-yl)phenyl]-[(R)-(2-propan-2-ylphenyl)-(6-pyrrol-1-id-2-yl-2-pyridinyl)methyl]azanide;oxolane;scandium(3+).

Molecular Properties

• Compound Name: bis(dimethylsilyl)azanide;[2,6-di(propan-2-yl)phenyl]-[(R)-(2-propan-2-ylphenyl)-(6-pyrrol-1-id-2-yl-2-pyridinyl)methyl]azanide;oxolane;scandium(3+)
• PubChem CID: 139100631
• Molecular Formula: C39H57N4OScSi2
• Molecular Weight: 699.04 g/mol
• Exact Mass: 698.36
• IUPAC Name: bis(dimethylsilyl)azanide;[2,6-di(propan-2-yl)phenyl]-[(R)-(2-propan-2-ylphenyl)-(6-pyrrol-1-id-2-yl-2-pyridinyl)methyl]azanide;oxolane;scandium(3+)
• SMILES: C1CCOC1.CC(C)c1ccccc1[C@@H]([N-]c1c(C(C)C)cccc1C(C)C)c1cccc(-c2ccc[n-]2)n1.C[SiH](C)[N-][SiH](C)C.[Sc+3]
• InChI: InChI=1S/C31H35N3.C4H14NSi2.C4H8O.Sc/c1-20(2)23-12-7-8-13-26(23)31(29-17-10-16-28(33-29)27-18-11-19-32-27)34-30-24(21(3)4)14-9-15-25(30)22(5)6;1-6(2)5-7(3)4;1-2-4-5-3-1;/h7-22,31H,1-6H3;6-7H,1-4H3;1-4H2;/q-2;-1;;+3/t31-;;;/m1.../s1
• InChIKey: YHYZEEBAFRCXRL-YEPRCSLYSA-N
• XLogP: 10.99
• TPSA: 64.42 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	699.04
LogP ≤ 5	10.99
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 bis(dimethylsilyl)azanide;[2,6-di(propan-2-yl)phenyl]-[(R)-(2-propan-2-ylphenyl)-(6-pyrrol-1-id-2-yl-2-pyridinyl)methyl]azanide;oxolane;scandium(3+)?

The IUPAC name of bis(dimethylsilyl)azanide;[2,6-di(propan-2-yl)phenyl]-[(R)-(2-propan-2-ylphenyl)-(6-pyrrol-1-id-2-yl-2-pyridinyl)methyl]azanide;oxolane;scandium(3+) (CID 139100631) is bis(dimethylsilyl)azanide;[2,6-di(propan-2-yl)phenyl]-[(R)-(2-propan-2-ylphenyl)-(6-pyrrol-1-id-2-yl-2-pyridinyl)methyl]azanide;oxolane;scandium(3+).

What is the SMILES notation for bis(dimethylsilyl)azanide;[2,6-di(propan-2-yl)phenyl]-[(R)-(2-propan-2-ylphenyl)-(6-pyrrol-1-id-2-yl-2-pyridinyl)methyl]azanide;oxolane;scandium(3+)?

The canonical SMILES for bis(dimethylsilyl)azanide;[2,6-di(propan-2-yl)phenyl]-[(R)-(2-propan-2-ylphenyl)-(6-pyrrol-1-id-2-yl-2-pyridinyl)methyl]azanide;oxolane;scandium(3+) is C1CCOC1.CC(C)c1ccccc1[C@@H]([N-]c1c(C(C)C)cccc1C(C)C)c1cccc(-c2ccc[n-]2)n1.C[SiH](C)[N-][SiH](C)C.[Sc+3].

What is the InChIKey of bis(dimethylsilyl)azanide;[2,6-di(propan-2-yl)phenyl]-[(R)-(2-propan-2-ylphenyl)-(6-pyrrol-1-id-2-yl-2-pyridinyl)methyl]azanide;oxolane;scandium(3+)?

The InChIKey is YHYZEEBAFRCXRL-YEPRCSLYSA-N. The full InChI is InChI=1S/C31H35N3.C4H14NSi2.C4H8O.Sc/c1-20(2)23-12-7-8-13-26(23)31(29-17-10-16-28(33-29)27-18-11-19-32-27)34-30-24(21(3)4)14-9-15-25(30)22(5)6;1-6(2)5-7(3)4;1-2-4-5-3-1;/h7-22,31H,1-6H3;6-7H,1-4H3;1-4H2;/q-2;-1;;+3/t31-;;;/m1.../s1.

What are the key properties of bis(dimethylsilyl)azanide;[2,6-di(propan-2-yl)phenyl]-[(R)-(2-propan-2-ylphenyl)-(6-pyrrol-1-id-2-yl-2-pyridinyl)methyl]azanide;oxolane;scandium(3+)?

bis(dimethylsilyl)azanide;[2,6-di(propan-2-yl)phenyl]-[(R)-(2-propan-2-ylphenyl)-(6-pyrrol-1-id-2-yl-2-pyridinyl)methyl]azanide;oxolane;scandium(3+) has a molecular weight of 699.04 g/mol, XLogP of 10.99, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for bis(dimethylsilyl)azanide;[2,6-di(propan-2-yl)phenyl]-[(R)-(2-propan-2-ylphenyl)-(6-pyrrol-1-id-2-yl-2-pyridinyl)methyl]azanide;oxolane;scandium(3+) is sourced from PubChem (CID 139100631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).