cobalt(2+);1-[6-[N-[4-ethenyl-2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]-N-(4-ethenylphenyl)ethanimine;dibromide

C31H35Br2CoN3 — CID 173151962

IUPACcobalt(2+);1-[6-[N-[4-ethenyl-2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]-N-(4-ethenylphenyl)ethanimine;dibromide
SMILESC=Cc1ccc(/N=C(\C)c2cccc(/C(C)=N/c3c(C(C)C)cc(C=C)cc3C(C)C)n2)cc1.[Br-].[Br-].[Co+2]
InChIInChI=1S/C31H35N3.2BrH.Co/c1-9-24-14-16-26(17-15-24)32-22(7)29-12-11-13-30(34-29)23(8)33-31-27(20(3)4)18-25(10-2)19-28(31)21(5)6;;;/h9-21H,1-2H2,3-8H3;2*1H;/q;;;+2/p-2/b32-22+,33-23+;;;
InChIKeyHPXWLQCFDCPLFU-YBWNPHJNSA-L
MW668.38 g/mol
LogP2.90
Rot. Bonds8

About cobalt(2+);1-[6-[N-[4-ethenyl-2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]-N-(4-ethenylphenyl)ethanimine;dibromide

cobalt(2+);1-[6-[N-[4-ethenyl-2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]-N-(4-ethenylphenyl)ethanimine;dibromide (PubChem CID 173151962) has the molecular formula C31H35Br2CoN3 and a molecular weight of 668.38 g/mol. Its IUPAC name is cobalt(2+);1-[6-[N-[4-ethenyl-2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]-N-(4-ethenylphenyl)ethanimine;dibromide.

Molecular Properties

Compound Namecobalt(2+);1-[6-[N-[4-ethenyl-2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]-N-(4-ethenylphenyl)ethanimine;dibromide
PubChem CID173151962
Molecular FormulaC31H35Br2CoN3
Molecular Weight668.38 g/mol
Exact Mass666.05
IUPAC Namecobalt(2+);1-[6-[N-[4-ethenyl-2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]-N-(4-ethenylphenyl)ethanimine;dibromide
SMILESC=Cc1ccc(/N=C(\C)c2cccc(/C(C)=N/c3c(C(C)C)cc(C=C)cc3C(C)C)n2)cc1.[Br-].[Br-].[Co+2]
InChIInChI=1S/C31H35N3.2BrH.Co/c1-9-24-14-16-26(17-15-24)32-22(7)29-12-11-13-30(34-29)23(8)33-31-27(20(3)4)18-25(10-2)19-28(31)21(5)6;;;/h9-21H,1-2H2,3-8H3;2*1H;/q;;;+2/p-2/b32-22+,33-23+;;;
InChIKeyHPXWLQCFDCPLFU-YBWNPHJNSA-L
XLogP2.90
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500668.38
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cobalt(2+);1-[6-[N-[4-ethenyl-2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]-N-(4-ethenylphenyl)ethanimine;dibromide?
The IUPAC name of cobalt(2+);1-[6-[N-[4-ethenyl-2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]-N-(4-ethenylphenyl)ethanimine;dibromide (CID 173151962) is cobalt(2+);1-[6-[N-[4-ethenyl-2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]-N-(4-ethenylphenyl)ethanimine;dibromide.
What is the SMILES notation for cobalt(2+);1-[6-[N-[4-ethenyl-2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]-N-(4-ethenylphenyl)ethanimine;dibromide?
The canonical SMILES for cobalt(2+);1-[6-[N-[4-ethenyl-2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]-N-(4-ethenylphenyl)ethanimine;dibromide is C=Cc1ccc(/N=C(\C)c2cccc(/C(C)=N/c3c(C(C)C)cc(C=C)cc3C(C)C)n2)cc1.[Br-].[Br-].[Co+2].
What is the InChIKey of cobalt(2+);1-[6-[N-[4-ethenyl-2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]-N-(4-ethenylphenyl)ethanimine;dibromide?
The InChIKey is HPXWLQCFDCPLFU-YBWNPHJNSA-L. The full InChI is InChI=1S/C31H35N3.2BrH.Co/c1-9-24-14-16-26(17-15-24)32-22(7)29-12-11-13-30(34-29)23(8)33-31-27(20(3)4)18-25(10-2)19-28(31)21(5)6;;;/h9-21H,1-2H2,3-8H3;2*1H;/q;;;+2/p-2/b32-22+,33-23+;;;.
What are the key properties of cobalt(2+);1-[6-[N-[4-ethenyl-2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]-N-(4-ethenylphenyl)ethanimine;dibromide?
cobalt(2+);1-[6-[N-[4-ethenyl-2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]-N-(4-ethenylphenyl)ethanimine;dibromide has a molecular weight of 668.38 g/mol, XLogP of 2.90, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);1-[6-[N-[4-ethenyl-2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]-N-(4-ethenylphenyl)ethanimine;dibromide is sourced from PubChem (CID 173151962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).