cobalt;bis(cobalt(3+));bis(piperidin-1-id-2-amine);2-(piperidin-1-id-2-yliminomethyl)cyclohexan-1-ol;2-(piperidin-2-yliminomethyl)cyclohexan-1-ol;2-(2H-pyridin-1-id-2-yliminomethyl)cyclohexan-1-ol;2-(pyridin-2-yliminomethyl)phenol

C58H92Co3N12O4+2 — CID 5247513

IUPACcobalt;bis(cobalt(3+));bis(piperidin-1-id-2-amine);2-(piperidin-1-id-2-yliminomethyl)cyclohexan-1-ol;2-(piperidin-2-yliminomethyl)cyclohexan-1-ol;2-(2H-pyridin-1-id-2-yliminomethyl)cyclohexan-1-ol;2-(pyridin-2-yliminomethyl)phenol
SMILESNC1CCCC[N-]1.NC1CCCC[N-]1.OC1CCCCC1C=NC1C=CC=C[N-]1.OC1CCCCC1C=NC1CCCCN1.OC1CCCCC1C=NC1CCCC[N-]1.Oc1ccccc1C=Nc1ccccn1.[Co+3].[Co+3].[Co]
InChIInChI=1S/C12H22N2O.C12H21N2O.C12H17N2O.C12H10N2O.2C5H11N2.3Co/c4*15-11-6-2-1-5-10(11)9-14-12-7-3-4-8-13-12;2*6-5-3-1-2-4-7-5;;;/h9-13,15H,1-8H2;9-12,15H,1-8H2;3-4,7-12,15H,1-2,5-6H2;1-9,15H;2*5H,1-4,6H2;;;/q;2*-1;;2*-1;;2*+3
InChIKeyXZVFCNRWDAXACR-UHFFFAOYSA-N
MW1198.25 g/mol
LogP10.78
Rot. Bonds8

About cobalt;bis(cobalt(3+));bis(piperidin-1-id-2-amine);2-(piperidin-1-id-2-yliminomethyl)cyclohexan-1-ol;2-(piperidin-2-yliminomethyl)cyclohexan-1-ol;2-(2H-pyridin-1-id-2-yliminomethyl)cyclohexan-1-ol;2-(pyridin-2-yliminomethyl)phenol

cobalt;bis(cobalt(3+));bis(piperidin-1-id-2-amine);2-(piperidin-1-id-2-yliminomethyl)cyclohexan-1-ol;2-(piperidin-2-yliminomethyl)cyclohexan-1-ol;2-(2H-pyridin-1-id-2-yliminomethyl)cyclohexan-1-ol;2-(pyridin-2-yliminomethyl)phenol (PubChem CID 5247513) has the molecular formula C58H92Co3N12O4+2 and a molecular weight of 1198.25 g/mol. Its IUPAC name is cobalt;bis(cobalt(3+));bis(piperidin-1-id-2-amine);2-(piperidin-1-id-2-yliminomethyl)cyclohexan-1-ol;2-(piperidin-2-yliminomethyl)cyclohexan-1-ol;2-(2H-pyridin-1-id-2-yliminomethyl)cyclohexan-1-ol;2-(pyridin-2-yliminomethyl)phenol.

Molecular Properties

Compound Namecobalt;bis(cobalt(3+));bis(piperidin-1-id-2-amine);2-(piperidin-1-id-2-yliminomethyl)cyclohexan-1-ol;2-(piperidin-2-yliminomethyl)cyclohexan-1-ol;2-(2H-pyridin-1-id-2-yliminomethyl)cyclohexan-1-ol;2-(pyridin-2-yliminomethyl)phenol
PubChem CID5247513
Molecular FormulaC58H92Co3N12O4+2
Molecular Weight1198.25 g/mol
Exact Mass1197.53
IUPAC Namecobalt;bis(cobalt(3+));bis(piperidin-1-id-2-amine);2-(piperidin-1-id-2-yliminomethyl)cyclohexan-1-ol;2-(piperidin-2-yliminomethyl)cyclohexan-1-ol;2-(2H-pyridin-1-id-2-yliminomethyl)cyclohexan-1-ol;2-(pyridin-2-yliminomethyl)phenol
SMILESNC1CCCC[N-]1.NC1CCCC[N-]1.OC1CCCCC1C=NC1C=CC=C[N-]1.OC1CCCCC1C=NC1CCCCN1.OC1CCCCC1C=NC1CCCC[N-]1.Oc1ccccc1C=Nc1ccccn1.[Co+3].[Co+3].[Co]
InChIInChI=1S/C12H22N2O.C12H21N2O.C12H17N2O.C12H10N2O.2C5H11N2.3Co/c4*15-11-6-2-1-5-10(11)9-14-12-7-3-4-8-13-12;2*6-5-3-1-2-4-7-5;;;/h9-13,15H,1-8H2;9-12,15H,1-8H2;3-4,7-12,15H,1-2,5-6H2;1-9,15H;2*5H,1-4,6H2;;;/q;2*-1;;2*-1;;2*+3
InChIKeyXZVFCNRWDAXACR-UHFFFAOYSA-N
XLogP10.78
TPSA263.72 Ų
H-Bond Donors7
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms77
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001198.25
LogP ≤ 510.78
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze cobalt;bis(cobalt(3+));bis(piperidin-1-id-2-amine);2-(piperidin-1-id-2-yliminomethyl)cyclohexan-1-ol;2-(piperidin-2-yliminomethyl)cyclohexan-1-ol;2-(2H-pyridin-1-id-2-yliminomethyl)cyclohexan-1-ol;2-(pyridin-2-yliminomethyl)phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of cobalt;bis(cobalt(3+));bis(piperidin-1-id-2-amine);2-(piperidin-1-id-2-yliminomethyl)cyclohexan-1-ol;2-(piperidin-2-yliminomethyl)cyclohexan-1-ol;2-(2H-pyridin-1-id-2-yliminomethyl)cyclohexan-1-ol;2-(pyridin-2-yliminomethyl)phenol?
The IUPAC name of cobalt;bis(cobalt(3+));bis(piperidin-1-id-2-amine);2-(piperidin-1-id-2-yliminomethyl)cyclohexan-1-ol;2-(piperidin-2-yliminomethyl)cyclohexan-1-ol;2-(2H-pyridin-1-id-2-yliminomethyl)cyclohexan-1-ol;2-(pyridin-2-yliminomethyl)phenol (CID 5247513) is cobalt;bis(cobalt(3+));bis(piperidin-1-id-2-amine);2-(piperidin-1-id-2-yliminomethyl)cyclohexan-1-ol;2-(piperidin-2-yliminomethyl)cyclohexan-1-ol;2-(2H-pyridin-1-id-2-yliminomethyl)cyclohexan-1-ol;2-(pyridin-2-yliminomethyl)phenol.
What is the SMILES notation for cobalt;bis(cobalt(3+));bis(piperidin-1-id-2-amine);2-(piperidin-1-id-2-yliminomethyl)cyclohexan-1-ol;2-(piperidin-2-yliminomethyl)cyclohexan-1-ol;2-(2H-pyridin-1-id-2-yliminomethyl)cyclohexan-1-ol;2-(pyridin-2-yliminomethyl)phenol?
The canonical SMILES for cobalt;bis(cobalt(3+));bis(piperidin-1-id-2-amine);2-(piperidin-1-id-2-yliminomethyl)cyclohexan-1-ol;2-(piperidin-2-yliminomethyl)cyclohexan-1-ol;2-(2H-pyridin-1-id-2-yliminomethyl)cyclohexan-1-ol;2-(pyridin-2-yliminomethyl)phenol is NC1CCCC[N-]1.NC1CCCC[N-]1.OC1CCCCC1C=NC1C=CC=C[N-]1.OC1CCCCC1C=NC1CCCCN1.OC1CCCCC1C=NC1CCCC[N-]1.Oc1ccccc1C=Nc1ccccn1.[Co+3].[Co+3].[Co].
What is the InChIKey of cobalt;bis(cobalt(3+));bis(piperidin-1-id-2-amine);2-(piperidin-1-id-2-yliminomethyl)cyclohexan-1-ol;2-(piperidin-2-yliminomethyl)cyclohexan-1-ol;2-(2H-pyridin-1-id-2-yliminomethyl)cyclohexan-1-ol;2-(pyridin-2-yliminomethyl)phenol?
The InChIKey is XZVFCNRWDAXACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.C12H21N2O.C12H17N2O.C12H10N2O.2C5H11N2.3Co/c4*15-11-6-2-1-5-10(11)9-14-12-7-3-4-8-13-12;2*6-5-3-1-2-4-7-5;;;/h9-13,15H,1-8H2;9-12,15H,1-8H2;3-4,7-12,15H,1-2,5-6H2;1-9,15H;2*5H,1-4,6H2;;;/q;2*-1;;2*-1;;2*+3.
What are the key properties of cobalt;bis(cobalt(3+));bis(piperidin-1-id-2-amine);2-(piperidin-1-id-2-yliminomethyl)cyclohexan-1-ol;2-(piperidin-2-yliminomethyl)cyclohexan-1-ol;2-(2H-pyridin-1-id-2-yliminomethyl)cyclohexan-1-ol;2-(pyridin-2-yliminomethyl)phenol?
cobalt;bis(cobalt(3+));bis(piperidin-1-id-2-amine);2-(piperidin-1-id-2-yliminomethyl)cyclohexan-1-ol;2-(piperidin-2-yliminomethyl)cyclohexan-1-ol;2-(2H-pyridin-1-id-2-yliminomethyl)cyclohexan-1-ol;2-(pyridin-2-yliminomethyl)phenol has a molecular weight of 1198.25 g/mol, XLogP of 10.78, 8 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;bis(cobalt(3+));bis(piperidin-1-id-2-amine);2-(piperidin-1-id-2-yliminomethyl)cyclohexan-1-ol;2-(piperidin-2-yliminomethyl)cyclohexan-1-ol;2-(2H-pyridin-1-id-2-yliminomethyl)cyclohexan-1-ol;2-(pyridin-2-yliminomethyl)phenol is sourced from PubChem (CID 5247513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).