cobalt(2+);N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)-4-prop-2-enylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dichloride

C36H47Cl2CoN3 — CID 173151835

IUPACcobalt(2+);N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)-4-prop-2-enylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dichloride
SMILESC=CCc1cc(C(C)C)c(/N=C(\C)c2cccc(/C(C)=N/c3c(C(C)C)cccc3C(C)C)n2)c(C(C)C)c1.[Cl-].[Cl-].[Co+2]
InChIInChI=1S/C36H47N3.2ClH.Co/c1-12-15-28-20-31(24(6)7)36(32(21-28)25(8)9)38-27(11)34-19-14-18-33(39-34)26(10)37-35-29(22(2)3)16-13-17-30(35)23(4)5;;;/h12-14,16-25H,1,15H2,2-11H3;2*1H;/q;;;+2/p-2/b37-26+,38-27+;;;
InChIKeyCZUFDMMXXOTXOC-DIMJHGQESA-L
MW651.63 g/mol
LogP4.59
Rot. Bonds10

About cobalt(2+);N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)-4-prop-2-enylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dichloride

cobalt(2+);N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)-4-prop-2-enylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dichloride (PubChem CID 173151835) has the molecular formula C36H47Cl2CoN3 and a molecular weight of 651.63 g/mol. Its IUPAC name is cobalt(2+);N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)-4-prop-2-enylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dichloride.

Molecular Properties

Compound Namecobalt(2+);N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)-4-prop-2-enylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dichloride
PubChem CID173151835
Molecular FormulaC36H47Cl2CoN3
Molecular Weight651.63 g/mol
Exact Mass650.25
IUPAC Namecobalt(2+);N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)-4-prop-2-enylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dichloride
SMILESC=CCc1cc(C(C)C)c(/N=C(\C)c2cccc(/C(C)=N/c3c(C(C)C)cccc3C(C)C)n2)c(C(C)C)c1.[Cl-].[Cl-].[Co+2]
InChIInChI=1S/C36H47N3.2ClH.Co/c1-12-15-28-20-31(24(6)7)36(32(21-28)25(8)9)38-27(11)34-19-14-18-33(39-34)26(10)37-35-29(22(2)3)16-13-17-30(35)23(4)5;;;/h12-14,16-25H,1,15H2,2-11H3;2*1H;/q;;;+2/p-2/b37-26+,38-27+;;;
InChIKeyCZUFDMMXXOTXOC-DIMJHGQESA-L
XLogP4.59
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500651.63
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cobalt(2+);N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)-4-prop-2-enylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dichloride?
The IUPAC name of cobalt(2+);N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)-4-prop-2-enylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dichloride (CID 173151835) is cobalt(2+);N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)-4-prop-2-enylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dichloride.
What is the SMILES notation for cobalt(2+);N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)-4-prop-2-enylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dichloride?
The canonical SMILES for cobalt(2+);N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)-4-prop-2-enylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dichloride is C=CCc1cc(C(C)C)c(/N=C(\C)c2cccc(/C(C)=N/c3c(C(C)C)cccc3C(C)C)n2)c(C(C)C)c1.[Cl-].[Cl-].[Co+2].
What is the InChIKey of cobalt(2+);N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)-4-prop-2-enylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dichloride?
The InChIKey is CZUFDMMXXOTXOC-DIMJHGQESA-L. The full InChI is InChI=1S/C36H47N3.2ClH.Co/c1-12-15-28-20-31(24(6)7)36(32(21-28)25(8)9)38-27(11)34-19-14-18-33(39-34)26(10)37-35-29(22(2)3)16-13-17-30(35)23(4)5;;;/h12-14,16-25H,1,15H2,2-11H3;2*1H;/q;;;+2/p-2/b37-26+,38-27+;;;.
What are the key properties of cobalt(2+);N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)-4-prop-2-enylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dichloride?
cobalt(2+);N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)-4-prop-2-enylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dichloride has a molecular weight of 651.63 g/mol, XLogP of 4.59, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)-4-prop-2-enylphenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;dichloride is sourced from PubChem (CID 173151835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).