cobalt(2+);N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)propane-1,3-diamine;dibromide

C35H52Br2CoN4 — CID 18441476

About cobalt(2+);N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)propane-1,3-diamine;dibromide

cobalt(2+);N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)propane-1,3-diamine;dibromide (PubChem CID 18441476) has the molecular formula C35H52Br2CoN4 and a molecular weight of 747.57 g/mol. Its IUPAC name is cobalt(2+);N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)propane-1,3-diamine;dibromide.

Molecular Properties

• Compound Name: cobalt(2+);N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)propane-1,3-diamine;dibromide
• PubChem CID: 18441476
• Molecular Formula: C35H52Br2CoN4
• Molecular Weight: 747.57 g/mol
• Exact Mass: 745.19
• IUPAC Name: cobalt(2+);N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)propane-1,3-diamine;dibromide
• SMILES: CCc1cc(CC)c(NCCCN(CCNc2c(CC)cc(CC)cc2CC)Cc2ccccn2)c(CC)c1.[Br-].[Br-].[Co+2]
• InChI: InChI=1S/C35H52N4.2BrH.Co/c1-7-27-22-29(9-3)34(30(10-4)23-27)37-18-15-20-39(26-33-16-13-14-17-36-33)21-19-38-35-31(11-5)24-28(8-2)25-32(35)12-6;;;/h13-14,16-17,22-25,37-38H,7-12,15,18-21,26H2,1-6H3;2*1H;/q;;;+2/p-2
• InChIKey: JVOIOYNKRRSOFX-UHFFFAOYSA-L
• XLogP: 1.88
• TPSA: 40.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 17
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	747.57
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)propane-1,3-diamine;dibromide?

The IUPAC name of cobalt(2+);N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)propane-1,3-diamine;dibromide (CID 18441476) is cobalt(2+);N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)propane-1,3-diamine;dibromide.

What is the SMILES notation for cobalt(2+);N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)propane-1,3-diamine;dibromide?

The canonical SMILES for cobalt(2+);N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)propane-1,3-diamine;dibromide is CCc1cc(CC)c(NCCCN(CCNc2c(CC)cc(CC)cc2CC)Cc2ccccn2)c(CC)c1.[Br-].[Br-].[Co+2].

What is the InChIKey of cobalt(2+);N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)propane-1,3-diamine;dibromide?

The InChIKey is JVOIOYNKRRSOFX-UHFFFAOYSA-L. The full InChI is InChI=1S/C35H52N4.2BrH.Co/c1-7-27-22-29(9-3)34(30(10-4)23-27)37-18-15-20-39(26-33-16-13-14-17-36-33)21-19-38-35-31(11-5)24-28(8-2)25-32(35)12-6;;;/h13-14,16-17,22-25,37-38H,7-12,15,18-21,26H2,1-6H3;2*1H;/q;;;+2/p-2.

What are the key properties of cobalt(2+);N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)propane-1,3-diamine;dibromide?

cobalt(2+);N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)propane-1,3-diamine;dibromide has a molecular weight of 747.57 g/mol, XLogP of 1.88, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for cobalt(2+);N'-(pyridin-2-ylmethyl)-N'-[2-(2,4,6-triethylanilino)ethyl]-N-(2,4,6-triethylphenyl)propane-1,3-diamine;dibromide is sourced from PubChem (CID 18441476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).