hexalithium;oxolane;hexakis((triphenyl-λ5-phosphanylidene)azanide)

C128H130Li6N6O5P6 — CID 139036812

IUPAChexalithium;oxolane;hexakis((triphenyl-λ5-phosphanylidene)azanide)
SMILESC1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[N-]=P(c1ccccc1)(c1ccccc1)c1ccccc1.[N-]=P(c1ccccc1)(c1ccccc1)c1ccccc1.[N-]=P(c1ccccc1)(c1ccccc1)c1ccccc1.[N-]=P(c1ccccc1)(c1ccccc1)c1ccccc1.[N-]=P(c1ccccc1)(c1ccccc1)c1ccccc1.[N-]=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/6C18H15NP.5C4H8O.6Li/c6*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;5*1-2-4-5-3-1;;;;;;/h6*1-15H;5*1-4H2;;;;;;/q6*-1;;;;;;6*+1
InChIKeyXNMUMSMXPBWUQE-UHFFFAOYSA-N
MW2059.98 g/mol
LogP8.41
Rot. Bonds18

About hexalithium;oxolane;hexakis((triphenyl-λ5-phosphanylidene)azanide)

hexalithium;oxolane;hexakis((triphenyl-λ5-phosphanylidene)azanide) (PubChem CID 139036812) has the molecular formula C128H130Li6N6O5P6 and a molecular weight of 2059.98 g/mol. Its IUPAC name is hexalithium;oxolane;hexakis((triphenyl-λ5-phosphanylidene)azanide).

Molecular Properties

Compound Namehexalithium;oxolane;hexakis((triphenyl-λ5-phosphanylidene)azanide)
PubChem CID139036812
Molecular FormulaC128H130Li6N6O5P6
Molecular Weight2059.98 g/mol
Exact Mass2058.95
IUPAC Namehexalithium;oxolane;hexakis((triphenyl-λ5-phosphanylidene)azanide)
SMILESC1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[N-]=P(c1ccccc1)(c1ccccc1)c1ccccc1.[N-]=P(c1ccccc1)(c1ccccc1)c1ccccc1.[N-]=P(c1ccccc1)(c1ccccc1)c1ccccc1.[N-]=P(c1ccccc1)(c1ccccc1)c1ccccc1.[N-]=P(c1ccccc1)(c1ccccc1)c1ccccc1.[N-]=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/6C18H15NP.5C4H8O.6Li/c6*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;5*1-2-4-5-3-1;;;;;;/h6*1-15H;5*1-4H2;;;;;;/q6*-1;;;;;;6*+1
InChIKeyXNMUMSMXPBWUQE-UHFFFAOYSA-N
XLogP8.41
TPSA179.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms151
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002059.98
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

lithium;diphenylphosphinate;oxolane
CID 139065490
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CID 19832785
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oxolane;phenoxybenzene
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benzeneselenolate;erbium(3+);oxolane
CID 139134737
oxane;oxolane;toluene
CID 70182101
tetrakis(tert-butyl-[tert-butylimino(diphenyl)-λ5-phosphanyl]azanide);bis(chromium(2+));oxolane
CID 139098280
anisole;oxolane
CID 21469894
trimagnesium;tris(1,2-dimethanidylbenzene);oxolane
CID 5259572
lithium;chromium(3+);bis(diphenylphosphanylmethyl(diphenyl)phosphane);oxolane;dichloride
CID 139107768
disodium;benzene;ditert-butyl(phenyl)silanide;oxolane
CID 73163246
CID 11039089
CID 11039089

Frequently Asked Questions

What is the IUPAC name of hexalithium;oxolane;hexakis((triphenyl-λ5-phosphanylidene)azanide)?
The IUPAC name of hexalithium;oxolane;hexakis((triphenyl-λ5-phosphanylidene)azanide) (CID 139036812) is hexalithium;oxolane;hexakis((triphenyl-λ5-phosphanylidene)azanide).
What is the SMILES notation for hexalithium;oxolane;hexakis((triphenyl-λ5-phosphanylidene)azanide)?
The canonical SMILES for hexalithium;oxolane;hexakis((triphenyl-λ5-phosphanylidene)azanide) is C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.C1CCOC1.[Li+].[Li+].[Li+].[Li+].[Li+].[Li+].[N-]=P(c1ccccc1)(c1ccccc1)c1ccccc1.[N-]=P(c1ccccc1)(c1ccccc1)c1ccccc1.[N-]=P(c1ccccc1)(c1ccccc1)c1ccccc1.[N-]=P(c1ccccc1)(c1ccccc1)c1ccccc1.[N-]=P(c1ccccc1)(c1ccccc1)c1ccccc1.[N-]=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of hexalithium;oxolane;hexakis((triphenyl-λ5-phosphanylidene)azanide)?
The InChIKey is XNMUMSMXPBWUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/6C18H15NP.5C4H8O.6Li/c6*19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;5*1-2-4-5-3-1;;;;;;/h6*1-15H;5*1-4H2;;;;;;/q6*-1;;;;;;6*+1.
What are the key properties of hexalithium;oxolane;hexakis((triphenyl-λ5-phosphanylidene)azanide)?
hexalithium;oxolane;hexakis((triphenyl-λ5-phosphanylidene)azanide) has a molecular weight of 2059.98 g/mol, XLogP of 8.41, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hexalithium;oxolane;hexakis((triphenyl-λ5-phosphanylidene)azanide) is sourced from PubChem (CID 139036812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).