cobalt;5,6,7,8-tetrabromo-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane

C32H52Br4CoN8 — CID 173361040

About cobalt;5,6,7,8-tetrabromo-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane

cobalt;5,6,7,8-tetrabromo-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane (PubChem CID 173361040) has the molecular formula C32H52Br4CoN8 and a molecular weight of 927.37 g/mol. Its IUPAC name is cobalt;5,6,7,8-tetrabromo-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane.

Molecular Properties

• Compound Name: cobalt;5,6,7,8-tetrabromo-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane
• PubChem CID: 173361040
• Molecular Formula: C32H52Br4CoN8
• Molecular Weight: 927.37 g/mol
• Exact Mass: 923.04
• IUPAC Name: cobalt;5,6,7,8-tetrabromo-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane
• SMILES: BrC1C(Br)C(Br)C2C3NC4NC(NC5NC(NC6NC(NC(N3)C2C1Br)C1CCCCC61)C1CCCCC51)C1CCCCC41.[Co]
• InChI: InChI=1S/C32H52Br4N8.Co/c33-21-19-20(22(34)24(36)23(21)35)32-43-30-18-12-6-4-10-16(18)28(41-30)39-26-14-8-2-1-7-13(14)25(37-26)38-27-15-9-3-5-11-17(15)29(40-27)42-31(19)44-32;/h13-32,37-44H,1-12H2
• InChIKey: NTZMZZOKUIKEKJ-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 96.24 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	927.37
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cobalt;5,6,7,8-tetrabromo-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane?

The IUPAC name of cobalt;5,6,7,8-tetrabromo-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane (CID 173361040) is cobalt;5,6,7,8-tetrabromo-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane.

What is the SMILES notation for cobalt;5,6,7,8-tetrabromo-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane?

The canonical SMILES for cobalt;5,6,7,8-tetrabromo-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane is BrC1C(Br)C(Br)C2C3NC4NC(NC5NC(NC6NC(NC(N3)C2C1Br)C1CCCCC61)C1CCCCC51)C1CCCCC41.[Co].

What is the InChIKey of cobalt;5,6,7,8-tetrabromo-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane?

The InChIKey is NTZMZZOKUIKEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H52Br4N8.Co/c33-21-19-20(22(34)24(36)23(21)35)32-43-30-18-12-6-4-10-16(18)28(41-30)39-26-14-8-2-1-7-13(14)25(37-26)38-27-15-9-3-5-11-17(15)29(40-27)42-31(19)44-32;/h13-32,37-44H,1-12H2;.

What are the key properties of cobalt;5,6,7,8-tetrabromo-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane?

cobalt;5,6,7,8-tetrabromo-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane has a molecular weight of 927.37 g/mol, XLogP of 4.10, 0 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for cobalt;5,6,7,8-tetrabromo-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane is sourced from PubChem (CID 173361040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).