bis(bis(trimethylsilyl)azanide);[C-tert-butyl-N-(2,6-dimethylphenyl)carbonimidoyl]-(2-diphenylphosphorylphenyl)azanide;neodymium(3+)

C43H68N4NdOPSi4 — CID 139201604

IUPACbis(bis(trimethylsilyl)azanide);[C-tert-butyl-N-(2,6-dimethylphenyl)carbonimidoyl]-(2-diphenylphosphorylphenyl)azanide;neodymium(3+)
SMILESC[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.Cc1cccc(C)c1/N=C(/[N-]c1ccccc1P(=O)(c1ccccc1)c1ccccc1)C(C)(C)C.[Nd+3]
InChIInChI=1S/C31H32N2OP.2C6H18NSi2.Nd/c1-23-15-14-16-24(2)29(23)33-30(31(3,4)5)32-27-21-12-13-22-28(27)35(34,25-17-8-6-9-18-25)26-19-10-7-11-20-26;2*1-8(2,3)7-9(4,5)6;/h6-22H,1-5H3;2*1-6H3;/q3*-1;+3
InChIKeyOQLNTGASLFJHBP-UHFFFAOYSA-N
MW944.60 g/mol
LogP13.78
Rot. Bonds9

About bis(bis(trimethylsilyl)azanide);[C-tert-butyl-N-(2,6-dimethylphenyl)carbonimidoyl]-(2-diphenylphosphorylphenyl)azanide;neodymium(3+)

bis(bis(trimethylsilyl)azanide);[C-tert-butyl-N-(2,6-dimethylphenyl)carbonimidoyl]-(2-diphenylphosphorylphenyl)azanide;neodymium(3+) (PubChem CID 139201604) has the molecular formula C43H68N4NdOPSi4 and a molecular weight of 944.60 g/mol. Its IUPAC name is bis(bis(trimethylsilyl)azanide);[C-tert-butyl-N-(2,6-dimethylphenyl)carbonimidoyl]-(2-diphenylphosphorylphenyl)azanide;neodymium(3+).

Molecular Properties

Compound Namebis(bis(trimethylsilyl)azanide);[C-tert-butyl-N-(2,6-dimethylphenyl)carbonimidoyl]-(2-diphenylphosphorylphenyl)azanide;neodymium(3+)
PubChem CID139201604
Molecular FormulaC43H68N4NdOPSi4
Molecular Weight944.60 g/mol
Exact Mass941.33
IUPAC Namebis(bis(trimethylsilyl)azanide);[C-tert-butyl-N-(2,6-dimethylphenyl)carbonimidoyl]-(2-diphenylphosphorylphenyl)azanide;neodymium(3+)
SMILESC[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.Cc1cccc(C)c1/N=C(/[N-]c1ccccc1P(=O)(c1ccccc1)c1ccccc1)C(C)(C)C.[Nd+3]
InChIInChI=1S/C31H32N2OP.2C6H18NSi2.Nd/c1-23-15-14-16-24(2)29(23)33-30(31(3,4)5)32-27-21-12-13-22-28(27)35(34,25-17-8-6-9-18-25)26-19-10-7-11-20-26;2*1-8(2,3)7-9(4,5)6;/h6-22H,1-5H3;2*1-6H3;/q3*-1;+3
InChIKeyOQLNTGASLFJHBP-UHFFFAOYSA-N
XLogP13.78
TPSA71.73 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500944.60
LogP ≤ 513.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-(2-diphenylphosphorylphenyl)-N'-[2,6-di(propan-2-yl)phenyl]-2,2-dimethylpropanimidamide
CID 132534118
1-(2-diphenylphosphorylphenyl)-2-methylbenzene
CID 15531741
lithium;[C-tert-butyl-N-[8-[C-tert-butyl-N-(2,6-dimethylphenyl)carbonimidoyl]azanidylnaphthalen-1-yl]carbonimidoyl]-(2,6-dimethylphenyl)azanide;[C-tert-butyl-N-[8-[[1-(2,6-dimethylphenyl)azanidyl-2,2-dimethylpropylidene]amino]naphthalen-1-yl]carbonimidoyl]-(2,6-dimethylphenyl)azanide;1,2-dimethoxyethane;ethoxyethane;neodymium(3+)
CID 139176899
2-(2-diphenylphosphorylphenyl)propan-2-ol
CID 12734316
N-(2-diphenylphosphorylphenyl)acetamide
CID 71531508
2-diphenylphosphorylphenol
CID 626229
N-(2-diphenylphosphoryl-6-methylphenyl)-N-methyladamantan-1-amine
CID 54769668
carbon monoxide;chromium;(2-diphenylphosphorylphenyl)-trimethylsilane
CID 134981051
(2-diphenylphosphoryl-4,5-dimethylphenyl)phosphane
CID 175349711
diphenylphosphorylbenzene;terbium
CID 86595283
1-diphenylphosphoryl-2-(trifluoromethyl)benzene
CID 5232149
1-diphenylphosphorylnaphthalene;terbium
CID 161386720

Frequently Asked Questions

What is the IUPAC name of bis(bis(trimethylsilyl)azanide);[C-tert-butyl-N-(2,6-dimethylphenyl)carbonimidoyl]-(2-diphenylphosphorylphenyl)azanide;neodymium(3+)?
The IUPAC name of bis(bis(trimethylsilyl)azanide);[C-tert-butyl-N-(2,6-dimethylphenyl)carbonimidoyl]-(2-diphenylphosphorylphenyl)azanide;neodymium(3+) (CID 139201604) is bis(bis(trimethylsilyl)azanide);[C-tert-butyl-N-(2,6-dimethylphenyl)carbonimidoyl]-(2-diphenylphosphorylphenyl)azanide;neodymium(3+).
What is the SMILES notation for bis(bis(trimethylsilyl)azanide);[C-tert-butyl-N-(2,6-dimethylphenyl)carbonimidoyl]-(2-diphenylphosphorylphenyl)azanide;neodymium(3+)?
The canonical SMILES for bis(bis(trimethylsilyl)azanide);[C-tert-butyl-N-(2,6-dimethylphenyl)carbonimidoyl]-(2-diphenylphosphorylphenyl)azanide;neodymium(3+) is C[Si](C)(C)[N-][Si](C)(C)C.C[Si](C)(C)[N-][Si](C)(C)C.Cc1cccc(C)c1/N=C(/[N-]c1ccccc1P(=O)(c1ccccc1)c1ccccc1)C(C)(C)C.[Nd+3].
What is the InChIKey of bis(bis(trimethylsilyl)azanide);[C-tert-butyl-N-(2,6-dimethylphenyl)carbonimidoyl]-(2-diphenylphosphorylphenyl)azanide;neodymium(3+)?
The InChIKey is OQLNTGASLFJHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2OP.2C6H18NSi2.Nd/c1-23-15-14-16-24(2)29(23)33-30(31(3,4)5)32-27-21-12-13-22-28(27)35(34,25-17-8-6-9-18-25)26-19-10-7-11-20-26;2*1-8(2,3)7-9(4,5)6;/h6-22H,1-5H3;2*1-6H3;/q3*-1;+3.
What are the key properties of bis(bis(trimethylsilyl)azanide);[C-tert-butyl-N-(2,6-dimethylphenyl)carbonimidoyl]-(2-diphenylphosphorylphenyl)azanide;neodymium(3+)?
bis(bis(trimethylsilyl)azanide);[C-tert-butyl-N-(2,6-dimethylphenyl)carbonimidoyl]-(2-diphenylphosphorylphenyl)azanide;neodymium(3+) has a molecular weight of 944.60 g/mol, XLogP of 13.78, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(bis(trimethylsilyl)azanide);[C-tert-butyl-N-(2,6-dimethylphenyl)carbonimidoyl]-(2-diphenylphosphorylphenyl)azanide;neodymium(3+) is sourced from PubChem (CID 139201604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).