bis(bis(trimethylsilyl)azanide);[[diphenyl(propan-2-ylimino)-λ5-phosphanyl]methylidene-diphenyl-λ5-phosphanyl]-propan-2-ylazanide;neodymium(3+)

C43H71N4NdP2Si4 — CID 139098792

About bis(bis(trimethylsilyl)azanide);[[diphenyl(propan-2-ylimino)-λ5-phosphanyl]methylidene-diphenyl-λ5-phosphanyl]-propan-2-ylazanide;neodymium(3+)

bis(bis(trimethylsilyl)azanide);[[diphenyl(propan-2-ylimino)-λ5-phosphanyl]methylidene-diphenyl-λ5-phosphanyl]-propan-2-ylazanide;neodymium(3+) (PubChem CID 139098792) has the molecular formula C43H71N4NdP2Si4 and a molecular weight of 962.60 g/mol. Its IUPAC name is bis(bis(trimethylsilyl)azanide);[[diphenyl(propan-2-ylimino)-λ5-phosphanyl]methylidene-diphenyl-λ5-phosphanyl]-propan-2-ylazanide;neodymium(3+).

Molecular Properties

• Compound Name: bis(bis(trimethylsilyl)azanide);[[diphenyl(propan-2-ylimino)-λ5-phosphanyl]methylidene-diphenyl-λ5-phosphanyl]-propan-2-ylazanide;neodymium(3+)
• PubChem CID: 139098792
• Molecular Formula: C43H71N4NdP2Si4
• Molecular Weight: 962.60 g/mol
• Exact Mass: 959.33
• IUPAC Name: bis(bis(trimethylsilyl)azanide);[[diphenyl(propan-2-ylimino)-λ5-phosphanyl]methylidene-diphenyl-λ5-phosphanyl]-propan-2-ylazanide;neodymium(3+)
• SMILES: CC(C)N=P(C=P([N-]C(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.[Nd+3]
• InChI: InChI=1S/C31H35N2P2.2C6H18NSi2.Nd/c1-26(2)32-34(28-17-9-5-10-18-28,29-19-11-6-12-20-29)25-35(33-27(3)4,30-21-13-7-14-22-30)31-23-15-8-16-24-31;2*1-8(2,3)7-9(4,5)6;/h5-27H,1-4H3;2*1-6H3;/q3*-1;+3
• InChIKey: RVZQWIKDYXNOFF-UHFFFAOYSA-N
• XLogP: 13.43
• TPSA: 54.66 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 12
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	962.60
LogP ≤ 5	13.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(bis(trimethylsilyl)azanide);[[diphenyl(propan-2-ylimino)-λ5-phosphanyl]methylidene-diphenyl-λ5-phosphanyl]-propan-2-ylazanide;neodymium(3+)?

The IUPAC name of bis(bis(trimethylsilyl)azanide);[[diphenyl(propan-2-ylimino)-λ5-phosphanyl]methylidene-diphenyl-λ5-phosphanyl]-propan-2-ylazanide;neodymium(3+) (CID 139098792) is bis(bis(trimethylsilyl)azanide);[[diphenyl(propan-2-ylimino)-λ5-phosphanyl]methylidene-diphenyl-λ5-phosphanyl]-propan-2-ylazanide;neodymium(3+).

What is the SMILES notation for bis(bis(trimethylsilyl)azanide);[[diphenyl(propan-2-ylimino)-λ5-phosphanyl]methylidene-diphenyl-λ5-phosphanyl]-propan-2-ylazanide;neodymium(3+)?

The canonical SMILES for bis(bis(trimethylsilyl)azanide);[[diphenyl(propan-2-ylimino)-λ5-phosphanyl]methylidene-diphenyl-λ5-phosphanyl]-propan-2-ylazanide;neodymium(3+) is CC(C)N=P(C=P([N-]C(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.[Nd+3].

What is the InChIKey of bis(bis(trimethylsilyl)azanide);[[diphenyl(propan-2-ylimino)-λ5-phosphanyl]methylidene-diphenyl-λ5-phosphanyl]-propan-2-ylazanide;neodymium(3+)?

The InChIKey is RVZQWIKDYXNOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N2P2.2C6H18NSi2.Nd/c1-26(2)32-34(28-17-9-5-10-18-28,29-19-11-6-12-20-29)25-35(33-27(3)4,30-21-13-7-14-22-30)31-23-15-8-16-24-31;2*1-8(2,3)7-9(4,5)6;/h5-27H,1-4H3;2*1-6H3;/q3*-1;+3.

What are the key properties of bis(bis(trimethylsilyl)azanide);[[diphenyl(propan-2-ylimino)-λ5-phosphanyl]methylidene-diphenyl-λ5-phosphanyl]-propan-2-ylazanide;neodymium(3+)?

bis(bis(trimethylsilyl)azanide);[[diphenyl(propan-2-ylimino)-λ5-phosphanyl]methylidene-diphenyl-λ5-phosphanyl]-propan-2-ylazanide;neodymium(3+) has a molecular weight of 962.60 g/mol, XLogP of 13.43, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for bis(bis(trimethylsilyl)azanide);[[diphenyl(propan-2-ylimino)-λ5-phosphanyl]methylidene-diphenyl-λ5-phosphanyl]-propan-2-ylazanide;neodymium(3+) is sourced from PubChem (CID 139098792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).