dilithium;bis[di(propan-2-yl)amino]boranyl-[bis[di(propan-2-yl)amino]boranylphosphanidyl-diphenylsilyl]phosphanide;bis(1,2-dimethoxyethane)

C44H86B2Li2N4O4P2Si — CID 139134566

IUPACdilithium;bis[di(propan-2-yl)amino]boranyl-[bis[di(propan-2-yl)amino]boranylphosphanidyl-diphenylsilyl]phosphanide;bis(1,2-dimethoxyethane)
SMILESCC(C)N(B([P-][Si]([P-]B(N(C(C)C)C(C)C)N(C(C)C)C(C)C)(c1ccccc1)c1ccccc1)N(C(C)C)C(C)C)C(C)C.COCCOC.COCCOC.[Li+].[Li+]
InChIInChI=1S/C36H66B2N4P2Si.2C4H10O2.2Li/c1-27(2)39(28(3)4)37(40(29(5)6)30(7)8)43-45(35-23-19-17-20-24-35,36-25-21-18-22-26-36)44-38(41(31(9)10)32(11)12)42(33(13)14)34(15)16;2*1-5-3-4-6-2;;/h17-34H,1-16H3;2*3-4H2,1-2H3;;/q-2;;;2*+1
InChIKeyXJRQXTGHGIJLQP-UHFFFAOYSA-N
MW860.74 g/mol
LogP3.15
Rot. Bonds24

About dilithium;bis[di(propan-2-yl)amino]boranyl-[bis[di(propan-2-yl)amino]boranylphosphanidyl-diphenylsilyl]phosphanide;bis(1,2-dimethoxyethane)

dilithium;bis[di(propan-2-yl)amino]boranyl-[bis[di(propan-2-yl)amino]boranylphosphanidyl-diphenylsilyl]phosphanide;bis(1,2-dimethoxyethane) (PubChem CID 139134566) has the molecular formula C44H86B2Li2N4O4P2Si and a molecular weight of 860.74 g/mol. Its IUPAC name is dilithium;bis[di(propan-2-yl)amino]boranyl-[bis[di(propan-2-yl)amino]boranylphosphanidyl-diphenylsilyl]phosphanide;bis(1,2-dimethoxyethane).

Molecular Properties

Compound Namedilithium;bis[di(propan-2-yl)amino]boranyl-[bis[di(propan-2-yl)amino]boranylphosphanidyl-diphenylsilyl]phosphanide;bis(1,2-dimethoxyethane)
PubChem CID139134566
Molecular FormulaC44H86B2Li2N4O4P2Si
Molecular Weight860.74 g/mol
Exact Mass860.64
IUPAC Namedilithium;bis[di(propan-2-yl)amino]boranyl-[bis[di(propan-2-yl)amino]boranylphosphanidyl-diphenylsilyl]phosphanide;bis(1,2-dimethoxyethane)
SMILESCC(C)N(B([P-][Si]([P-]B(N(C(C)C)C(C)C)N(C(C)C)C(C)C)(c1ccccc1)c1ccccc1)N(C(C)C)C(C)C)C(C)C.COCCOC.COCCOC.[Li+].[Li+]
InChIInChI=1S/C36H66B2N4P2Si.2C4H10O2.2Li/c1-27(2)39(28(3)4)37(40(29(5)6)30(7)8)43-45(35-23-19-17-20-24-35,36-25-21-18-22-26-36)44-38(41(31(9)10)32(11)12)42(33(13)14)34(15)16;2*1-5-3-4-6-2;;/h17-34H,1-16H3;2*3-4H2,1-2H3;;/q-2;;;2*+1
InChIKeyXJRQXTGHGIJLQP-UHFFFAOYSA-N
XLogP3.15
TPSA49.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms59
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500860.74
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl-dimethyl-phenylsilane
CID 123175505
[4-methoxy-2-(2-methoxyethyl)butyl]benzene
CID 175035100
hexoxy-(2-methoxyethoxy)-diphenylsilane
CID 91740712
1,2-dimethoxyethane;toluene;hydrate
CID 131731093
2-methoxyethylbenzene
CID 19089
[(2S)-4-methoxy-2-methylbutyl]benzene
CID 70313401
2-[2-methoxyethyl(propan-2-yl)amino]-1-phenylpropan-1-one
CID 82952096
2-amino-3-[2-methoxyethyl(propan-2-yl)amino]-2-phenylpropanoic acid
CID 82960250
benzyl-[2-(2-methoxyethoxy)ethoxy]-dimethylsilane
CID 91694228
N-dichloroboranyl-N-[dimethyl(phenyl)silyl]propan-2-amine
CID 100995344
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635
2-(2-methoxyethoxy)ethylbenzene
CID 21135488

Frequently Asked Questions

What is the IUPAC name of dilithium;bis[di(propan-2-yl)amino]boranyl-[bis[di(propan-2-yl)amino]boranylphosphanidyl-diphenylsilyl]phosphanide;bis(1,2-dimethoxyethane)?
The IUPAC name of dilithium;bis[di(propan-2-yl)amino]boranyl-[bis[di(propan-2-yl)amino]boranylphosphanidyl-diphenylsilyl]phosphanide;bis(1,2-dimethoxyethane) (CID 139134566) is dilithium;bis[di(propan-2-yl)amino]boranyl-[bis[di(propan-2-yl)amino]boranylphosphanidyl-diphenylsilyl]phosphanide;bis(1,2-dimethoxyethane).
What is the SMILES notation for dilithium;bis[di(propan-2-yl)amino]boranyl-[bis[di(propan-2-yl)amino]boranylphosphanidyl-diphenylsilyl]phosphanide;bis(1,2-dimethoxyethane)?
The canonical SMILES for dilithium;bis[di(propan-2-yl)amino]boranyl-[bis[di(propan-2-yl)amino]boranylphosphanidyl-diphenylsilyl]phosphanide;bis(1,2-dimethoxyethane) is CC(C)N(B([P-][Si]([P-]B(N(C(C)C)C(C)C)N(C(C)C)C(C)C)(c1ccccc1)c1ccccc1)N(C(C)C)C(C)C)C(C)C.COCCOC.COCCOC.[Li+].[Li+].
What is the InChIKey of dilithium;bis[di(propan-2-yl)amino]boranyl-[bis[di(propan-2-yl)amino]boranylphosphanidyl-diphenylsilyl]phosphanide;bis(1,2-dimethoxyethane)?
The InChIKey is XJRQXTGHGIJLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H66B2N4P2Si.2C4H10O2.2Li/c1-27(2)39(28(3)4)37(40(29(5)6)30(7)8)43-45(35-23-19-17-20-24-35,36-25-21-18-22-26-36)44-38(41(31(9)10)32(11)12)42(33(13)14)34(15)16;2*1-5-3-4-6-2;;/h17-34H,1-16H3;2*3-4H2,1-2H3;;/q-2;;;2*+1.
What are the key properties of dilithium;bis[di(propan-2-yl)amino]boranyl-[bis[di(propan-2-yl)amino]boranylphosphanidyl-diphenylsilyl]phosphanide;bis(1,2-dimethoxyethane)?
dilithium;bis[di(propan-2-yl)amino]boranyl-[bis[di(propan-2-yl)amino]boranylphosphanidyl-diphenylsilyl]phosphanide;bis(1,2-dimethoxyethane) has a molecular weight of 860.74 g/mol, XLogP of 3.15, 24 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;bis[di(propan-2-yl)amino]boranyl-[bis[di(propan-2-yl)amino]boranylphosphanidyl-diphenylsilyl]phosphanide;bis(1,2-dimethoxyethane) is sourced from PubChem (CID 139134566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).