About bis(cobalt(3+));methanol;bis((Z)-4-[2-[[(Z)-4-oxidopent-3-en-2-ylidene]amino]ethylimino]pent-2-en-2-olate);tetrakis(pyridine);dibromide
bis(cobalt(3+));methanol;bis((Z)-4-[2-[[(Z)-4-oxidopent-3-en-2-ylidene]amino]ethylimino]pent-2-en-2-olate);tetrakis(pyridine);dibromide (PubChem CID 139138990) has the molecular formula C48H72Br2Co2N8O8
and a molecular weight of 1166.83 g/mol. Its IUPAC name is bis(cobalt(3+));methanol;bis((Z)-4-[2-[[(Z)-4-oxidopent-3-en-2-ylidene]amino]ethylimino]pent-2-en-2-olate);tetrakis(pyridine);dibromide.
Molecular Properties
| Compound Name | bis(cobalt(3+));methanol;bis((Z)-4-[2-[[(Z)-4-oxidopent-3-en-2-ylidene]amino]ethylimino]pent-2-en-2-olate);tetrakis(pyridine);dibromide |
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| PubChem CID | 139138990 |
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| Molecular Formula | C48H72Br2Co2N8O8 |
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| Molecular Weight | 1166.83 g/mol |
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| Exact Mass | 1164.25 |
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| IUPAC Name | bis(cobalt(3+));methanol;bis((Z)-4-[2-[[(Z)-4-oxidopent-3-en-2-ylidene]amino]ethylimino]pent-2-en-2-olate);tetrakis(pyridine);dibromide |
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| SMILES | C/C([O-])=C/C(C)=N/CC/N=C(C)/C=C(/C)[O-].C/C([O-])=C/C(C)=N/CC/N=C(C)/C=C(/C)[O-].CO.CO.CO.CO.[Br-].[Br-].[Co+3].[Co+3].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1 |
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| InChI | InChI=1S/2C12H20N2O2.4C5H5N.4CH4O.2BrH.2Co/c2*1-9(7-11(3)15)13-5-6-14-10(2)8-12(4)16;4*1-2-4-6-5-3-1;4*1-2;;;;/h2*7-8,15-16H,5-6H2,1-4H3;4*1-5H;4*2H,1H3;2*1H;;/q;;;;;;;;;;;;2*+3/p-6/b2*11-7-,12-8-,13-9+,14-10+;;;;;;;;;;;; |
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| InChIKey | ZURMTBZHOAKBJE-ACECXBMESA-H |
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| XLogP | -2.36 |
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| TPSA | 274.16 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 16 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 68 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1166.83 |
| LogP ≤ 5 | -2.36 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 16 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of bis(cobalt(3+));methanol;bis((Z)-4-[2-[[(Z)-4-oxidopent-3-en-2-ylidene]amino]ethylimino]pent-2-en-2-olate);tetrakis(pyridine);dibromide?
The IUPAC name of bis(cobalt(3+));methanol;bis((Z)-4-[2-[[(Z)-4-oxidopent-3-en-2-ylidene]amino]ethylimino]pent-2-en-2-olate);tetrakis(pyridine);dibromide (CID 139138990) is bis(cobalt(3+));methanol;bis((Z)-4-[2-[[(Z)-4-oxidopent-3-en-2-ylidene]amino]ethylimino]pent-2-en-2-olate);tetrakis(pyridine);dibromide.
What is the SMILES notation for bis(cobalt(3+));methanol;bis((Z)-4-[2-[[(Z)-4-oxidopent-3-en-2-ylidene]amino]ethylimino]pent-2-en-2-olate);tetrakis(pyridine);dibromide?
The canonical SMILES for bis(cobalt(3+));methanol;bis((Z)-4-[2-[[(Z)-4-oxidopent-3-en-2-ylidene]amino]ethylimino]pent-2-en-2-olate);tetrakis(pyridine);dibromide is C/C([O-])=C/C(C)=N/CC/N=C(C)/C=C(/C)[O-].C/C([O-])=C/C(C)=N/CC/N=C(C)/C=C(/C)[O-].CO.CO.CO.CO.[Br-].[Br-].[Co+3].[Co+3].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of bis(cobalt(3+));methanol;bis((Z)-4-[2-[[(Z)-4-oxidopent-3-en-2-ylidene]amino]ethylimino]pent-2-en-2-olate);tetrakis(pyridine);dibromide?
The InChIKey is ZURMTBZHOAKBJE-ACECXBMESA-H. The full InChI is InChI=1S/2C12H20N2O2.4C5H5N.4CH4O.2BrH.2Co/c2*1-9(7-11(3)15)13-5-6-14-10(2)8-12(4)16;4*1-2-4-6-5-3-1;4*1-2;;;;/h2*7-8,15-16H,5-6H2,1-4H3;4*1-5H;4*2H,1H3;2*1H;;/q;;;;;;;;;;;;2*+3/p-6/b2*11-7-,12-8-,13-9+,14-10+;;;;;;;;;;;;.
What are the key properties of bis(cobalt(3+));methanol;bis((Z)-4-[2-[[(Z)-4-oxidopent-3-en-2-ylidene]amino]ethylimino]pent-2-en-2-olate);tetrakis(pyridine);dibromide?
bis(cobalt(3+));methanol;bis((Z)-4-[2-[[(Z)-4-oxidopent-3-en-2-ylidene]amino]ethylimino]pent-2-en-2-olate);tetrakis(pyridine);dibromide has a molecular weight of 1166.83 g/mol, XLogP of -2.36, 10 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cobalt(3+));methanol;bis((Z)-4-[2-[[(Z)-4-oxidopent-3-en-2-ylidene]amino]ethylimino]pent-2-en-2-olate);tetrakis(pyridine);dibromide is sourced from PubChem (CID 139138990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).