tris(dichlorocobalt);1-[6-(2,6-dimethylphenyl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)ethanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine

C83H88Cl6Co3N6 — CID 158989069

About tris(dichlorocobalt);1-[6-(2,6-dimethylphenyl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)ethanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine

tris(dichlorocobalt);1-[6-(2,6-dimethylphenyl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)ethanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine (PubChem CID 158989069) has the molecular formula C83H88Cl6Co3N6 and a molecular weight of 1559.18 g/mol. Its IUPAC name is tris(dichlorocobalt);1-[6-(2,6-dimethylphenyl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)ethanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine.

Molecular Properties

• Compound Name: tris(dichlorocobalt);1-[6-(2,6-dimethylphenyl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)ethanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine
• PubChem CID: 158989069
• Molecular Formula: C83H88Cl6Co3N6
• Molecular Weight: 1559.18 g/mol
• Exact Mass: 1555.32
• IUPAC Name: tris(dichlorocobalt);1-[6-(2,6-dimethylphenyl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)ethanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine
• SMILES: C/C(=N\c1c(C(C)C)cccc1C(C)C)c1cccc(-c2cccc3ccccc23)n1.CC(C)c1cccc(C(C)C)c1/N=C/c1cccc(-c2cccc3ccccc23)n1.Cc1cccc(C)c1-c1cccc(/C=N/c2c(C(C)C)cccc2C(C)C)n1.Cl[Co]Cl.Cl[Co]Cl.Cl[Co]Cl
• InChI: InChI=1S/C29H30N2.C28H28N2.C26H30N2.6ClH.3Co/c1-19(2)23-14-9-15-24(20(3)4)29(23)30-21(5)27-17-10-18-28(31-27)26-16-8-12-22-11-6-7-13-25(22)26;1-19(2)23-14-9-15-24(20(3)4)28(23)29-18-22-12-8-17-27(30-22)26-16-7-11-21-10-5-6-13-25(21)26;1-17(2)22-13-9-14-23(18(3)4)26(22)27-16-21-12-8-15-24(28-21)25-19(5)10-7-11-20(25)6;;;;;;;;;/h6-20H,1-5H3;5-20H,1-4H3;7-18H,1-6H3;6*1H;;;/q;;;;;;;;;3*+2/p-6/b30-21+;29-18+;27-16+
• InChIKey: JPYBEXOXHQXASN-JQGUADAPSA-H
• XLogP: 27.68
• TPSA: 75.75 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1559.18
LogP ≤ 5	27.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tris(dichlorocobalt);1-[6-(2,6-dimethylphenyl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)ethanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine?

The IUPAC name of tris(dichlorocobalt);1-[6-(2,6-dimethylphenyl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)ethanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine (CID 158989069) is tris(dichlorocobalt);1-[6-(2,6-dimethylphenyl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)ethanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine.

What is the SMILES notation for tris(dichlorocobalt);1-[6-(2,6-dimethylphenyl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)ethanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine?

The canonical SMILES for tris(dichlorocobalt);1-[6-(2,6-dimethylphenyl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)ethanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine is C/C(=N\c1c(C(C)C)cccc1C(C)C)c1cccc(-c2cccc3ccccc23)n1.CC(C)c1cccc(C(C)C)c1/N=C/c1cccc(-c2cccc3ccccc23)n1.Cc1cccc(C)c1-c1cccc(/C=N/c2c(C(C)C)cccc2C(C)C)n1.Cl[Co]Cl.Cl[Co]Cl.Cl[Co]Cl.

What is the InChIKey of tris(dichlorocobalt);1-[6-(2,6-dimethylphenyl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)ethanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine?

The InChIKey is JPYBEXOXHQXASN-JQGUADAPSA-H. The full InChI is InChI=1S/C29H30N2.C28H28N2.C26H30N2.6ClH.3Co/c1-19(2)23-14-9-15-24(20(3)4)29(23)30-21(5)27-17-10-18-28(31-27)26-16-8-12-22-11-6-7-13-25(22)26;1-19(2)23-14-9-15-24(20(3)4)28(23)29-18-22-12-8-17-27(30-22)26-16-7-11-21-10-5-6-13-25(21)26;1-17(2)22-13-9-14-23(18(3)4)26(22)27-16-21-12-8-15-24(28-21)25-19(5)10-7-11-20(25)6;;;;;;;;;/h6-20H,1-5H3;5-20H,1-4H3;7-18H,1-6H3;6*1H;;;/q;;;;;;;;;3*+2/p-6/b30-21+;29-18+;27-16+;;;;;;;;;.

What are the key properties of tris(dichlorocobalt);1-[6-(2,6-dimethylphenyl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)ethanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine?

tris(dichlorocobalt);1-[6-(2,6-dimethylphenyl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)ethanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine has a molecular weight of 1559.18 g/mol, XLogP of 27.68, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tris(dichlorocobalt);1-[6-(2,6-dimethylphenyl)-2-pyridinyl]-N-[2,6-di(propan-2-yl)phenyl]methanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)ethanimine;N-[2,6-di(propan-2-yl)phenyl]-1-(6-naphthalen-1-yl-2-pyridinyl)methanimine is sourced from PubChem (CID 158989069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).