cobalt;dichloro(iodo)-λ3-iodane;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine

C33H43Cl2CoI2N3 — CID 158415061

About cobalt;dichloro(iodo)-λ3-iodane;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine

cobalt;dichloro(iodo)-λ3-iodane;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine (PubChem CID 158415061) has the molecular formula C33H43Cl2CoI2N3 and a molecular weight of 865.37 g/mol. Its IUPAC name is cobalt;dichloro(iodo)-λ3-iodane;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine.

Molecular Properties

• Compound Name: cobalt;dichloro(iodo)-λ3-iodane;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
• PubChem CID: 158415061
• Molecular Formula: C33H43Cl2CoI2N3
• Molecular Weight: 865.37 g/mol
• Exact Mass: 864.03
• IUPAC Name: cobalt;dichloro(iodo)-λ3-iodane;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
• SMILES: C/C(=N\c1c(C(C)C)cccc1C(C)C)c1cccc(/C(C)=N/c2c(C(C)C)cccc2C(C)C)n1.ClI(Cl)I.[Co]
• InChI: InChI=1S/C33H43N3.Cl2I2.Co/c1-20(2)26-14-11-15-27(21(3)4)32(26)34-24(9)30-18-13-19-31(36-30)25(10)35-33-28(22(5)6)16-12-17-29(33)23(7)8;1-4(2)3;/h11-23H,1-10H3;;/b34-24+,35-25+
• InChIKey: GZUCBYJNJRNJDG-DGOWAXEKSA-N
• XLogP: 13.00
• TPSA: 37.61 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	865.37
LogP ≤ 5	13.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cobalt;dichloro(iodo)-λ3-iodane;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine?

The IUPAC name of cobalt;dichloro(iodo)-λ3-iodane;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine (CID 158415061) is cobalt;dichloro(iodo)-λ3-iodane;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine.

What is the SMILES notation for cobalt;dichloro(iodo)-λ3-iodane;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine?

The canonical SMILES for cobalt;dichloro(iodo)-λ3-iodane;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine is C/C(=N\c1c(C(C)C)cccc1C(C)C)c1cccc(/C(C)=N/c2c(C(C)C)cccc2C(C)C)n1.ClI(Cl)I.[Co].

What is the InChIKey of cobalt;dichloro(iodo)-λ3-iodane;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine?

The InChIKey is GZUCBYJNJRNJDG-DGOWAXEKSA-N. The full InChI is InChI=1S/C33H43N3.Cl2I2.Co/c1-20(2)26-14-11-15-27(21(3)4)32(26)34-24(9)30-18-13-19-31(36-30)25(10)35-33-28(22(5)6)16-12-17-29(33)23(7)8;1-4(2)3;/h11-23H,1-10H3;;/b34-24+,35-25+;;.

What are the key properties of cobalt;dichloro(iodo)-λ3-iodane;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine?

cobalt;dichloro(iodo)-λ3-iodane;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine has a molecular weight of 865.37 g/mol, XLogP of 13.00, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for cobalt;dichloro(iodo)-λ3-iodane;N-[2,6-di(propan-2-yl)phenyl]-1-[6-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine is sourced from PubChem (CID 158415061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).