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

C34H45Cl2CoN3 — CID 173243944

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

cobalt(2+);N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-4-methyl-2-pyridinyl]ethanimine;dichloride (PubChem CID 173243944) has the molecular formula C34H45Cl2CoN3 and a molecular weight of 625.59 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)phenyl]-C-methylcarbonimidoyl]-4-methyl-2-pyridinyl]ethanimine;dichloride.

Molecular Properties

• Compound Name: cobalt(2+);N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-4-methyl-2-pyridinyl]ethanimine;dichloride
• PubChem CID: 173243944
• Molecular Formula: C34H45Cl2CoN3
• Molecular Weight: 625.59 g/mol
• Exact Mass: 624.23
• IUPAC Name: cobalt(2+);N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-4-methyl-2-pyridinyl]ethanimine;dichloride
• SMILES: C/C(=N\c1c(C(C)C)cccc1C(C)C)c1cc(C)cc(/C(C)=N/c2c(C(C)C)cccc2C(C)C)n1.[Cl-].[Cl-].[Co+2]
• InChI: InChI=1S/C34H45N3.2ClH.Co/c1-20(2)27-14-12-15-28(21(3)4)33(27)35-25(10)31-18-24(9)19-32(37-31)26(11)36-34-29(22(5)6)16-13-17-30(34)23(7)8;;;/h12-23H,1-11H3;2*1H;/q;;;+2/p-2/b35-25+,36-26+
• InChIKey: DDWZVHYNIFBHKD-SZJGHBKBSA-L
• XLogP: 4.17
• TPSA: 37.61 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	625.59
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

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)phenyl]-C-methylcarbonimidoyl]-4-methyl-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)phenyl]-C-methylcarbonimidoyl]-4-methyl-2-pyridinyl]ethanimine;dichloride (CID 173243944) is cobalt(2+);N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-4-methyl-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)phenyl]-C-methylcarbonimidoyl]-4-methyl-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)phenyl]-C-methylcarbonimidoyl]-4-methyl-2-pyridinyl]ethanimine;dichloride is C/C(=N\c1c(C(C)C)cccc1C(C)C)c1cc(C)cc(/C(C)=N/c2c(C(C)C)cccc2C(C)C)n1.[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)phenyl]-C-methylcarbonimidoyl]-4-methyl-2-pyridinyl]ethanimine;dichloride?

The InChIKey is DDWZVHYNIFBHKD-SZJGHBKBSA-L. The full InChI is InChI=1S/C34H45N3.2ClH.Co/c1-20(2)27-14-12-15-28(21(3)4)33(27)35-25(10)31-18-24(9)19-32(37-31)26(11)36-34-29(22(5)6)16-13-17-30(34)23(7)8;;;/h12-23H,1-11H3;2*1H;/q;;;+2/p-2/b35-25+,36-26+;;;.

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)phenyl]-C-methylcarbonimidoyl]-4-methyl-2-pyridinyl]ethanimine;dichloride?

cobalt(2+);N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-4-methyl-2-pyridinyl]ethanimine;dichloride has a molecular weight of 625.59 g/mol, XLogP of 4.17, 8 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)phenyl]-C-methylcarbonimidoyl]-4-methyl-2-pyridinyl]ethanimine;dichloride is sourced from PubChem (CID 173243944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).