cobalt;1,2-dimethylimidazole;2,2-dimethyl-N-[2-[10,15,20-tris[2-(2,2-dimethylpropanoylamino)phenyl]porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraid-5-yl]phenyl]propanamide;nitrite

C69H72CoN11O6- — CID 139134182

About cobalt;1,2-dimethylimidazole;2,2-dimethyl-N-[2-[10,15,20-tris[2-(2,2-dimethylpropanoylamino)phenyl]porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraid-5-yl]phenyl]propanamide;nitrite

cobalt;1,2-dimethylimidazole;2,2-dimethyl-N-[2-[10,15,20-tris[2-(2,2-dimethylpropanoylamino)phenyl]porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraid-5-yl]phenyl]propanamide;nitrite (PubChem CID 139134182) has the molecular formula C69H72CoN11O6- and a molecular weight of 1210.34 g/mol. Its IUPAC name is cobalt;1,2-dimethylimidazole;2,2-dimethyl-N-[2-[10,15,20-tris[2-(2,2-dimethylpropanoylamino)phenyl]porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraid-5-yl]phenyl]propanamide;nitrite.

Molecular Properties

• Compound Name: cobalt;1,2-dimethylimidazole;2,2-dimethyl-N-[2-[10,15,20-tris[2-(2,2-dimethylpropanoylamino)phenyl]porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraid-5-yl]phenyl]propanamide;nitrite
• PubChem CID: 139134182
• Molecular Formula: C69H72CoN11O6-
• Molecular Weight: 1210.34 g/mol
• Exact Mass: 1209.50
• IUPAC Name: cobalt;1,2-dimethylimidazole;2,2-dimethyl-N-[2-[10,15,20-tris[2-(2,2-dimethylpropanoylamino)phenyl]porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraid-5-yl]phenyl]propanamide;nitrite
• SMILES: CC(C)(C)C(=O)Nc1ccccc1[C+]1c2ccc([n-]2)[C+](c2ccccc2NC(=O)C(C)(C)C)c2ccc([n-]2)[C+](c2ccccc2NC(=O)C(C)(C)C)c2ccc([n-]2)[C+](c2ccccc2NC(=O)C(C)(C)C)c2ccc1[n-]2.Cc1nccn1C.O=N[O-].[Co]
• InChI: InChI=1S/C64H64N8O4.C5H8N2.Co.HNO2/c1-61(2,3)57(73)69-41-25-17-13-21-37(41)53-45-29-31-47(65-45)54(38-22-14-18-26-42(38)70-58(74)62(4,5)6)49-33-35-51(67-49)56(40-24-16-20-28-44(40)72-60(76)64(10,11)12)52-36-34-50(68-52)55(48-32-30-46(53)66-48)39-23-15-19-27-43(39)71-59(75)63(7,8)9;1-5-6-3-4-7(5)2;;2-1-3/h13-36H,1-12H3,(H,69,73)(H,70,74)(H,71,75)(H,72,76);3-4H,1-2H3;;(H,2,3)/p-1
• InChIKey: BIFUAOSLCOWVRA-UHFFFAOYSA-M
• XLogP: 12.82
• TPSA: 243.11 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1210.34
LogP ≤ 5	12.82
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cobalt;1,2-dimethylimidazole;2,2-dimethyl-N-[2-[10,15,20-tris[2-(2,2-dimethylpropanoylamino)phenyl]porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraid-5-yl]phenyl]propanamide;nitrite?

The IUPAC name of cobalt;1,2-dimethylimidazole;2,2-dimethyl-N-[2-[10,15,20-tris[2-(2,2-dimethylpropanoylamino)phenyl]porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraid-5-yl]phenyl]propanamide;nitrite (CID 139134182) is cobalt;1,2-dimethylimidazole;2,2-dimethyl-N-[2-[10,15,20-tris[2-(2,2-dimethylpropanoylamino)phenyl]porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraid-5-yl]phenyl]propanamide;nitrite.

What is the SMILES notation for cobalt;1,2-dimethylimidazole;2,2-dimethyl-N-[2-[10,15,20-tris[2-(2,2-dimethylpropanoylamino)phenyl]porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraid-5-yl]phenyl]propanamide;nitrite?

The canonical SMILES for cobalt;1,2-dimethylimidazole;2,2-dimethyl-N-[2-[10,15,20-tris[2-(2,2-dimethylpropanoylamino)phenyl]porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraid-5-yl]phenyl]propanamide;nitrite is CC(C)(C)C(=O)Nc1ccccc1[C+]1c2ccc([n-]2)[C+](c2ccccc2NC(=O)C(C)(C)C)c2ccc([n-]2)[C+](c2ccccc2NC(=O)C(C)(C)C)c2ccc([n-]2)[C+](c2ccccc2NC(=O)C(C)(C)C)c2ccc1[n-]2.Cc1nccn1C.O=N[O-].[Co].

What is the InChIKey of cobalt;1,2-dimethylimidazole;2,2-dimethyl-N-[2-[10,15,20-tris[2-(2,2-dimethylpropanoylamino)phenyl]porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraid-5-yl]phenyl]propanamide;nitrite?

The InChIKey is BIFUAOSLCOWVRA-UHFFFAOYSA-M. The full InChI is InChI=1S/C64H64N8O4.C5H8N2.Co.HNO2/c1-61(2,3)57(73)69-41-25-17-13-21-37(41)53-45-29-31-47(65-45)54(38-22-14-18-26-42(38)70-58(74)62(4,5)6)49-33-35-51(67-49)56(40-24-16-20-28-44(40)72-60(76)64(10,11)12)52-36-34-50(68-52)55(48-32-30-46(53)66-48)39-23-15-19-27-43(39)71-59(75)63(7,8)9;1-5-6-3-4-7(5)2;;2-1-3/h13-36H,1-12H3,(H,69,73)(H,70,74)(H,71,75)(H,72,76);3-4H,1-2H3;;(H,2,3)/p-1.

What are the key properties of cobalt;1,2-dimethylimidazole;2,2-dimethyl-N-[2-[10,15,20-tris[2-(2,2-dimethylpropanoylamino)phenyl]porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraid-5-yl]phenyl]propanamide;nitrite?

cobalt;1,2-dimethylimidazole;2,2-dimethyl-N-[2-[10,15,20-tris[2-(2,2-dimethylpropanoylamino)phenyl]porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraid-5-yl]phenyl]propanamide;nitrite has a molecular weight of 1210.34 g/mol, XLogP of 12.82, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for cobalt;1,2-dimethylimidazole;2,2-dimethyl-N-[2-[10,15,20-tris[2-(2,2-dimethylpropanoylamino)phenyl]porphyrin-5,10,15,20-tetraylium-21,22,23,24-tetraid-5-yl]phenyl]propanamide;nitrite is sourced from PubChem (CID 139134182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).