dilithium;cobalt;tris(piperidin-1-ide);tetrakis(2-propan-2-ylcyclohexan-1-ol);2H-pyridin-1-ide

C56H108CoLi2N4O4-2 — CID 4867565

IUPACdilithium;cobalt;tris(piperidin-1-ide);tetrakis(2-propan-2-ylcyclohexan-1-ol);2H-pyridin-1-ide
SMILESC1=CC[N-]C=C1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.CC(C)C1CCCCC1O.CC(C)C1CCCCC1O.CC(C)C1CCCCC1O.CC(C)C1CCCCC1O.[Co].[Li+].[Li+]
InChIInChI=1S/4C9H18O.3C5H10N.C5H6N.Co.2Li/c4*1-7(2)8-5-3-4-6-9(8)10;4*1-2-4-6-5-3-1;;;/h4*7-10H,3-6H2,1-2H3;3*1-5H2;1-4H,5H2;;;/q;;;;4*-1;;2*+1
InChIKeyNSDBUUKGQLLTGH-UHFFFAOYSA-N
MW974.32 g/mol
LogP8.86
Rot. Bonds4

About dilithium;cobalt;tris(piperidin-1-ide);tetrakis(2-propan-2-ylcyclohexan-1-ol);2H-pyridin-1-ide

dilithium;cobalt;tris(piperidin-1-ide);tetrakis(2-propan-2-ylcyclohexan-1-ol);2H-pyridin-1-ide (PubChem CID 4867565) has the molecular formula C56H108CoLi2N4O4-2 and a molecular weight of 974.32 g/mol. Its IUPAC name is dilithium;cobalt;tris(piperidin-1-ide);tetrakis(2-propan-2-ylcyclohexan-1-ol);2H-pyridin-1-ide.

Molecular Properties

Compound Namedilithium;cobalt;tris(piperidin-1-ide);tetrakis(2-propan-2-ylcyclohexan-1-ol);2H-pyridin-1-ide
PubChem CID4867565
Molecular FormulaC56H108CoLi2N4O4-2
Molecular Weight974.32 g/mol
Exact Mass973.80
IUPAC Namedilithium;cobalt;tris(piperidin-1-ide);tetrakis(2-propan-2-ylcyclohexan-1-ol);2H-pyridin-1-ide
SMILESC1=CC[N-]C=C1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.CC(C)C1CCCCC1O.CC(C)C1CCCCC1O.CC(C)C1CCCCC1O.CC(C)C1CCCCC1O.[Co].[Li+].[Li+]
InChIInChI=1S/4C9H18O.3C5H10N.C5H6N.Co.2Li/c4*1-7(2)8-5-3-4-6-9(8)10;4*1-2-4-6-5-3-1;;;/h4*7-10H,3-6H2,1-2H3;3*1-5H2;1-4H,5H2;;;/q;;;;4*-1;;2*+1
InChIKeyNSDBUUKGQLLTGH-UHFFFAOYSA-N
XLogP8.86
TPSA137.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500974.32
LogP ≤ 58.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze dilithium;cobalt;tris(piperidin-1-ide);tetrakis(2-propan-2-ylcyclohexan-1-ol);2H-pyridin-1-ide with MolForge

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Related Compounds

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CID 5231730
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CID 11968220
cis-(1R,2R)-2-propan-2-ylcyclobutan-1-ol
CID 153486186
2-(1-hydroxyethyl)cyclodecan-1-ol
CID 23443021
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CID 50921804
cobalt(3+);2-[N-[3-[1-(2-hydroxycyclohexyl)ethylideneamino]butan-2-yl]-C-methylcarbonimidoyl]cyclohexan-1-ol;bis(piperidin-1-ide)
CID 5255739
2-butan-2-ylcycloheptan-1-ol
CID 23148884
2-[1-[(3S,4S)-3-hydroxy-4-propan-2-ylcyclopentyl]propan-2-yl]cyclohexan-1-ol
CID 139383930
2-(1-hydroxypropan-2-yl)cyclohexan-1-ol
CID 130503401
trans-(1S,2R)-5,5-difluoro-2-propan-2-ylcyclohexan-1-ol;trans-(1S,2R)-2-propan-2-ylcyclohexan-1-ol
CID 159846173
2-(2-hydroxycycloheptyl)propanoic acid
CID 79418512
lithium azanidacycloheptane
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Frequently Asked Questions

What is the IUPAC name of dilithium;cobalt;tris(piperidin-1-ide);tetrakis(2-propan-2-ylcyclohexan-1-ol);2H-pyridin-1-ide?
The IUPAC name of dilithium;cobalt;tris(piperidin-1-ide);tetrakis(2-propan-2-ylcyclohexan-1-ol);2H-pyridin-1-ide (CID 4867565) is dilithium;cobalt;tris(piperidin-1-ide);tetrakis(2-propan-2-ylcyclohexan-1-ol);2H-pyridin-1-ide.
What is the SMILES notation for dilithium;cobalt;tris(piperidin-1-ide);tetrakis(2-propan-2-ylcyclohexan-1-ol);2H-pyridin-1-ide?
The canonical SMILES for dilithium;cobalt;tris(piperidin-1-ide);tetrakis(2-propan-2-ylcyclohexan-1-ol);2H-pyridin-1-ide is C1=CC[N-]C=C1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.CC(C)C1CCCCC1O.CC(C)C1CCCCC1O.CC(C)C1CCCCC1O.CC(C)C1CCCCC1O.[Co].[Li+].[Li+].
What is the InChIKey of dilithium;cobalt;tris(piperidin-1-ide);tetrakis(2-propan-2-ylcyclohexan-1-ol);2H-pyridin-1-ide?
The InChIKey is NSDBUUKGQLLTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/4C9H18O.3C5H10N.C5H6N.Co.2Li/c4*1-7(2)8-5-3-4-6-9(8)10;4*1-2-4-6-5-3-1;;;/h4*7-10H,3-6H2,1-2H3;3*1-5H2;1-4H,5H2;;;/q;;;;4*-1;;2*+1.
What are the key properties of dilithium;cobalt;tris(piperidin-1-ide);tetrakis(2-propan-2-ylcyclohexan-1-ol);2H-pyridin-1-ide?
dilithium;cobalt;tris(piperidin-1-ide);tetrakis(2-propan-2-ylcyclohexan-1-ol);2H-pyridin-1-ide has a molecular weight of 974.32 g/mol, XLogP of 8.86, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;cobalt;tris(piperidin-1-ide);tetrakis(2-propan-2-ylcyclohexan-1-ol);2H-pyridin-1-ide is sourced from PubChem (CID 4867565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).