potassium;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane;iron;2-methyl-1H-imidazole;2-methylimidazol-3-ide;oxolane;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide

C78H91FeKN10O8 — CID 139062533

About potassium;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane;iron;2-methyl-1H-imidazole;2-methylimidazol-3-ide;oxolane;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide

potassium;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane;iron;2-methyl-1H-imidazole;2-methylimidazol-3-ide;oxolane;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide (PubChem CID 139062533) has the molecular formula C78H91FeKN10O8 and a molecular weight of 1391.59 g/mol. Its IUPAC name is potassium;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane;iron;2-methyl-1H-imidazole;2-methylimidazol-3-ide;oxolane;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide.

Molecular Properties

• Compound Name: potassium;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane;iron;2-methyl-1H-imidazole;2-methylimidazol-3-ide;oxolane;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide
• PubChem CID: 139062533
• Molecular Formula: C78H91FeKN10O8
• Molecular Weight: 1391.59 g/mol
• Exact Mass: 1390.60
• IUPAC Name: potassium;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane;iron;2-methyl-1H-imidazole;2-methylimidazol-3-ide;oxolane;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide
• SMILES: C1CCOC1.C1CCOC1.C1COCCN2CCOCCOCCN(CCO1)CCOCCOCC2.Cc1ncc[n-]1.Cc1ncc[nH]1.[Fe].[K+].c1ccc([C+]2c3ccc([n-]3)[C+](c3ccccc3)c3ccc([n-]3)[C+](c3ccccc3)c3ccc([n-]3)[C+](c3ccccc3)c3ccc2[n-]3)cc1
• InChI: InChI=1S/C44H28N4.C18H36N2O6.C4H6N2.C4H5N2.2C4H8O.Fe.K/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;1-7-21-13-14-24-10-4-20-5-11-25-17-15-22-8-2-19(1)3-9-23-16-18-26-12-6-20;2*1-4-5-2-3-6-4;2*1-2-4-5-3-1;;/h1-28H;1-18H2;2-3H,1H3,(H,5,6);2-3H,1H3;2*1-4H2;;/q;;;-1;;;;+1
• InChIKey: VFURUTBBSAJFQG-UHFFFAOYSA-N
• XLogP: 7.28
• TPSA: 192.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1391.59
LogP ≤ 5	7.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane;iron;2-methyl-1H-imidazole;2-methylimidazol-3-ide;oxolane;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide?

The IUPAC name of potassium;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane;iron;2-methyl-1H-imidazole;2-methylimidazol-3-ide;oxolane;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide (CID 139062533) is potassium;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane;iron;2-methyl-1H-imidazole;2-methylimidazol-3-ide;oxolane;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide.

What is the SMILES notation for potassium;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane;iron;2-methyl-1H-imidazole;2-methylimidazol-3-ide;oxolane;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide?

The canonical SMILES for potassium;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane;iron;2-methyl-1H-imidazole;2-methylimidazol-3-ide;oxolane;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide is C1CCOC1.C1CCOC1.C1COCCN2CCOCCOCCN(CCO1)CCOCCOCC2.Cc1ncc[n-]1.Cc1ncc[nH]1.[Fe].[K+].c1ccc([C+]2c3ccc([n-]3)[C+](c3ccccc3)c3ccc([n-]3)[C+](c3ccccc3)c3ccc([n-]3)[C+](c3ccccc3)c3ccc2[n-]3)cc1.

What is the InChIKey of potassium;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane;iron;2-methyl-1H-imidazole;2-methylimidazol-3-ide;oxolane;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide?

The InChIKey is VFURUTBBSAJFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N4.C18H36N2O6.C4H6N2.C4H5N2.2C4H8O.Fe.K/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;1-7-21-13-14-24-10-4-20-5-11-25-17-15-22-8-2-19(1)3-9-23-16-18-26-12-6-20;2*1-4-5-2-3-6-4;2*1-2-4-5-3-1;;/h1-28H;1-18H2;2-3H,1H3,(H,5,6);2-3H,1H3;2*1-4H2;;/q;;;-1;;;;+1.

What are the key properties of potassium;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane;iron;2-methyl-1H-imidazole;2-methylimidazol-3-ide;oxolane;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide?

potassium;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane;iron;2-methyl-1H-imidazole;2-methylimidazol-3-ide;oxolane;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide has a molecular weight of 1391.59 g/mol, XLogP of 7.28, 4 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane;iron;2-methyl-1H-imidazole;2-methylimidazol-3-ide;oxolane;5,10,15,20-tetraphenylporphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraide is sourced from PubChem (CID 139062533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).