lithium;cobalt;dichlorocobalt;bis(N-ethyl-1-[6-(N-ethyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine);bis(methanidyl(trimethyl)silane)

C34H60Cl2Co2LiN6Si2- — CID 162060022

IUPAClithium;cobalt;dichlorocobalt;bis(N-ethyl-1-[6-(N-ethyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine);bis(methanidyl(trimethyl)silane)
SMILESCC/N=C(\C)c1cccc(/C(C)=N/CC)n1.CC/N=C(\C)c1cccc(/C(C)=N/CC)n1.Cl[Co]Cl.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[Co].[Li+]
InChIInChI=1S/2C13H19N3.2C4H11Si.2ClH.2Co.Li/c2*1-5-14-10(3)12-8-7-9-13(16-12)11(4)15-6-2;2*1-5(2,3)4;;;;;/h2*7-9H,5-6H2,1-4H3;2*1H2,2-4H3;2*1H;;;/q;;2*-1;;;;+2;+1/p-2/b2*14-10+,15-11+;;;;;;;
InChIKeyCDDATYSIRRBFPC-IHDWGALKSA-L
MW804.78 g/mol
LogP7.25
Rot. Bonds8

About lithium;cobalt;dichlorocobalt;bis(N-ethyl-1-[6-(N-ethyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine);bis(methanidyl(trimethyl)silane)

lithium;cobalt;dichlorocobalt;bis(N-ethyl-1-[6-(N-ethyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine);bis(methanidyl(trimethyl)silane) (PubChem CID 162060022) has the molecular formula C34H60Cl2Co2LiN6Si2- and a molecular weight of 804.78 g/mol. Its IUPAC name is lithium;cobalt;dichlorocobalt;bis(N-ethyl-1-[6-(N-ethyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine);bis(methanidyl(trimethyl)silane).

Molecular Properties

Compound Namelithium;cobalt;dichlorocobalt;bis(N-ethyl-1-[6-(N-ethyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine);bis(methanidyl(trimethyl)silane)
PubChem CID162060022
Molecular FormulaC34H60Cl2Co2LiN6Si2-
Molecular Weight804.78 g/mol
Exact Mass803.26
IUPAC Namelithium;cobalt;dichlorocobalt;bis(N-ethyl-1-[6-(N-ethyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine);bis(methanidyl(trimethyl)silane)
SMILESCC/N=C(\C)c1cccc(/C(C)=N/CC)n1.CC/N=C(\C)c1cccc(/C(C)=N/CC)n1.Cl[Co]Cl.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[Co].[Li+]
InChIInChI=1S/2C13H19N3.2C4H11Si.2ClH.2Co.Li/c2*1-5-14-10(3)12-8-7-9-13(16-12)11(4)15-6-2;2*1-5(2,3)4;;;;;/h2*7-9H,5-6H2,1-4H3;2*1H2,2-4H3;2*1H;;;/q;;2*-1;;;;+2;+1/p-2/b2*14-10+,15-11+;;;;;;;
InChIKeyCDDATYSIRRBFPC-IHDWGALKSA-L
XLogP7.25
TPSA75.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.78
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium;cobalt;dichlorocobalt;bis(N-ethyl-1-[6-(N-ethyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine);bis(methanidyl(trimethyl)silane)?
The IUPAC name of lithium;cobalt;dichlorocobalt;bis(N-ethyl-1-[6-(N-ethyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine);bis(methanidyl(trimethyl)silane) (CID 162060022) is lithium;cobalt;dichlorocobalt;bis(N-ethyl-1-[6-(N-ethyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine);bis(methanidyl(trimethyl)silane).
What is the SMILES notation for lithium;cobalt;dichlorocobalt;bis(N-ethyl-1-[6-(N-ethyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine);bis(methanidyl(trimethyl)silane)?
The canonical SMILES for lithium;cobalt;dichlorocobalt;bis(N-ethyl-1-[6-(N-ethyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine);bis(methanidyl(trimethyl)silane) is CC/N=C(\C)c1cccc(/C(C)=N/CC)n1.CC/N=C(\C)c1cccc(/C(C)=N/CC)n1.Cl[Co]Cl.[CH2-][Si](C)(C)C.[CH2-][Si](C)(C)C.[Co].[Li+].
What is the InChIKey of lithium;cobalt;dichlorocobalt;bis(N-ethyl-1-[6-(N-ethyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine);bis(methanidyl(trimethyl)silane)?
The InChIKey is CDDATYSIRRBFPC-IHDWGALKSA-L. The full InChI is InChI=1S/2C13H19N3.2C4H11Si.2ClH.2Co.Li/c2*1-5-14-10(3)12-8-7-9-13(16-12)11(4)15-6-2;2*1-5(2,3)4;;;;;/h2*7-9H,5-6H2,1-4H3;2*1H2,2-4H3;2*1H;;;/q;;2*-1;;;;+2;+1/p-2/b2*14-10+,15-11+;;;;;;;.
What are the key properties of lithium;cobalt;dichlorocobalt;bis(N-ethyl-1-[6-(N-ethyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine);bis(methanidyl(trimethyl)silane)?
lithium;cobalt;dichlorocobalt;bis(N-ethyl-1-[6-(N-ethyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine);bis(methanidyl(trimethyl)silane) has a molecular weight of 804.78 g/mol, XLogP of 7.25, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;cobalt;dichlorocobalt;bis(N-ethyl-1-[6-(N-ethyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine);bis(methanidyl(trimethyl)silane) is sourced from PubChem (CID 162060022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).