bis(cobalt(2+));bis(2,2-diethyl-15,18,21,24,27-pentaoxa-8,34-diaza-39,40-diazanidapentacyclo[34.2.1.13,6.09,14.028,33]tetraconta-1(38),3,5,7,9,11,13,28,30,32,34,36-dodecaene)

C70H80Co2N8O10 — CID 139181795

About bis(cobalt(2+));bis(2,2-diethyl-15,18,21,24,27-pentaoxa-8,34-diaza-39,40-diazanidapentacyclo[34.2.1.13,6.09,14.028,33]tetraconta-1(38),3,5,7,9,11,13,28,30,32,34,36-dodecaene)

bis(cobalt(2+));bis(2,2-diethyl-15,18,21,24,27-pentaoxa-8,34-diaza-39,40-diazanidapentacyclo[34.2.1.13,6.09,14.028,33]tetraconta-1(38),3,5,7,9,11,13,28,30,32,34,36-dodecaene) (PubChem CID 139181795) has the molecular formula C70H80Co2N8O10 and a molecular weight of 1311.32 g/mol. Its IUPAC name is bis(cobalt(2+));bis(2,2-diethyl-15,18,21,24,27-pentaoxa-8,34-diaza-39,40-diazanidapentacyclo[34.2.1.13,6.09,14.028,33]tetraconta-1(38),3,5,7,9,11,13,28,30,32,34,36-dodecaene).

Molecular Properties

• Compound Name: bis(cobalt(2+));bis(2,2-diethyl-15,18,21,24,27-pentaoxa-8,34-diaza-39,40-diazanidapentacyclo[34.2.1.13,6.09,14.028,33]tetraconta-1(38),3,5,7,9,11,13,28,30,32,34,36-dodecaene)
• PubChem CID: 139181795
• Molecular Formula: C70H80Co2N8O10
• Molecular Weight: 1311.32 g/mol
• Exact Mass: 1310.47
• IUPAC Name: bis(cobalt(2+));bis(2,2-diethyl-15,18,21,24,27-pentaoxa-8,34-diaza-39,40-diazanidapentacyclo[34.2.1.13,6.09,14.028,33]tetraconta-1(38),3,5,7,9,11,13,28,30,32,34,36-dodecaene)
• SMILES: CCC1(CC)c2ccc([n-]2)/C=N/c2ccccc2OCCOCCOCCOCCOc2ccccc2/N=C/c2ccc1[n-]2.CCC1(CC)c2ccc([n-]2)/C=N/c2ccccc2OCCOCCOCCOCCOc2ccccc2/N=C/c2ccc1[n-]2.[Co+2].[Co+2]
• InChI: InChI=1S/2C35H40N4O5.2Co/c2*1-3-35(4-2)33-15-13-27(38-33)25-36-29-9-5-7-11-31(29)43-23-21-41-19-17-40-18-20-42-22-24-44-32-12-8-6-10-30(32)37-26-28-14-16-34(35)39-28;;/h2*5-16,25-26H,3-4,17-24H2,1-2H3;;/q2*-2;2*+2/b2*36-25+,37-26+
• InChIKey: MYHXRVGPPSLAGW-UQOTZRJWSA-N
• XLogP: 12.05
• TPSA: 198.14 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 4
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1311.32
LogP ≤ 5	12.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of bis(cobalt(2+));bis(2,2-diethyl-15,18,21,24,27-pentaoxa-8,34-diaza-39,40-diazanidapentacyclo[34.2.1.13,6.09,14.028,33]tetraconta-1(38),3,5,7,9,11,13,28,30,32,34,36-dodecaene)?

The IUPAC name of bis(cobalt(2+));bis(2,2-diethyl-15,18,21,24,27-pentaoxa-8,34-diaza-39,40-diazanidapentacyclo[34.2.1.13,6.09,14.028,33]tetraconta-1(38),3,5,7,9,11,13,28,30,32,34,36-dodecaene) (CID 139181795) is bis(cobalt(2+));bis(2,2-diethyl-15,18,21,24,27-pentaoxa-8,34-diaza-39,40-diazanidapentacyclo[34.2.1.13,6.09,14.028,33]tetraconta-1(38),3,5,7,9,11,13,28,30,32,34,36-dodecaene).

What is the SMILES notation for bis(cobalt(2+));bis(2,2-diethyl-15,18,21,24,27-pentaoxa-8,34-diaza-39,40-diazanidapentacyclo[34.2.1.13,6.09,14.028,33]tetraconta-1(38),3,5,7,9,11,13,28,30,32,34,36-dodecaene)?

The canonical SMILES for bis(cobalt(2+));bis(2,2-diethyl-15,18,21,24,27-pentaoxa-8,34-diaza-39,40-diazanidapentacyclo[34.2.1.13,6.09,14.028,33]tetraconta-1(38),3,5,7,9,11,13,28,30,32,34,36-dodecaene) is CCC1(CC)c2ccc([n-]2)/C=N/c2ccccc2OCCOCCOCCOCCOc2ccccc2/N=C/c2ccc1[n-]2.CCC1(CC)c2ccc([n-]2)/C=N/c2ccccc2OCCOCCOCCOCCOc2ccccc2/N=C/c2ccc1[n-]2.[Co+2].[Co+2].

What is the InChIKey of bis(cobalt(2+));bis(2,2-diethyl-15,18,21,24,27-pentaoxa-8,34-diaza-39,40-diazanidapentacyclo[34.2.1.13,6.09,14.028,33]tetraconta-1(38),3,5,7,9,11,13,28,30,32,34,36-dodecaene)?

The InChIKey is MYHXRVGPPSLAGW-UQOTZRJWSA-N. The full InChI is InChI=1S/2C35H40N4O5.2Co/c2*1-3-35(4-2)33-15-13-27(38-33)25-36-29-9-5-7-11-31(29)43-23-21-41-19-17-40-18-20-42-22-24-44-32-12-8-6-10-30(32)37-26-28-14-16-34(35)39-28;;/h2*5-16,25-26H,3-4,17-24H2,1-2H3;;/q2*-2;2*+2/b2*36-25+,37-26+;;.

What are the key properties of bis(cobalt(2+));bis(2,2-diethyl-15,18,21,24,27-pentaoxa-8,34-diaza-39,40-diazanidapentacyclo[34.2.1.13,6.09,14.028,33]tetraconta-1(38),3,5,7,9,11,13,28,30,32,34,36-dodecaene)?

bis(cobalt(2+));bis(2,2-diethyl-15,18,21,24,27-pentaoxa-8,34-diaza-39,40-diazanidapentacyclo[34.2.1.13,6.09,14.028,33]tetraconta-1(38),3,5,7,9,11,13,28,30,32,34,36-dodecaene) has a molecular weight of 1311.32 g/mol, XLogP of 12.05, 4 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for bis(cobalt(2+));bis(2,2-diethyl-15,18,21,24,27-pentaoxa-8,34-diaza-39,40-diazanidapentacyclo[34.2.1.13,6.09,14.028,33]tetraconta-1(38),3,5,7,9,11,13,28,30,32,34,36-dodecaene) is sourced from PubChem (CID 139181795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).