cobalt(2+);bis(2,2,2-trifluoroethyl (5Z)-5-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxycarbonyl)pyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate)

C56H54CoF12N4O8 — CID 169046243

About cobalt(2+);bis(2,2,2-trifluoroethyl (5Z)-5-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxycarbonyl)pyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate)

cobalt(2+);bis(2,2,2-trifluoroethyl (5Z)-5-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxycarbonyl)pyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate) (PubChem CID 169046243) has the molecular formula C56H54CoF12N4O8 and a molecular weight of 1197.98 g/mol. Its IUPAC name is cobalt(2+);bis(2,2,2-trifluoroethyl (5Z)-5-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxycarbonyl)pyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate).

Molecular Properties

• Compound Name: cobalt(2+);bis(2,2,2-trifluoroethyl (5Z)-5-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxycarbonyl)pyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate)
• PubChem CID: 169046243
• Molecular Formula: C56H54CoF12N4O8
• Molecular Weight: 1197.98 g/mol
• Exact Mass: 1197.31
• IUPAC Name: cobalt(2+);bis(2,2,2-trifluoroethyl (5Z)-5-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxycarbonyl)pyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate)
• SMILES: CC1=N/C(=C(\c2[n-]c(C)c(C(=O)OCC(F)(F)F)c2C)c2c(C)cc(C)cc2C)C(C)=C1C(=O)OCC(F)(F)F.CC1=N/C(=C(\c2[n-]c(C)c(C(=O)OCC(F)(F)F)c2C)c2c(C)cc(C)cc2C)C(C)=C1C(=O)OCC(F)(F)F.[Co+2]
• InChI: InChI=1S/2C28H28F6N2O4.Co/c2*1-12-8-13(2)19(14(3)9-12)22(23-15(4)20(17(6)35-23)25(37)39-10-27(29,30)31)24-16(5)21(18(7)36-24)26(38)40-11-28(32,33)34;/h2*8-9H,10-11H2,1-7H3,(H,35,36,37,38);/q;;+2/p-2
• InChIKey: GPVQJFWVDRUAPM-UHFFFAOYSA-L
• XLogP: 13.12
• TPSA: 158.12 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 12
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1197.98
LogP ≤ 5	13.12
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis(2,2,2-trifluoroethyl (5Z)-5-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxycarbonyl)pyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate)?

The IUPAC name of cobalt(2+);bis(2,2,2-trifluoroethyl (5Z)-5-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxycarbonyl)pyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate) (CID 169046243) is cobalt(2+);bis(2,2,2-trifluoroethyl (5Z)-5-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxycarbonyl)pyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate).

What is the SMILES notation for cobalt(2+);bis(2,2,2-trifluoroethyl (5Z)-5-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxycarbonyl)pyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate)?

The canonical SMILES for cobalt(2+);bis(2,2,2-trifluoroethyl (5Z)-5-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxycarbonyl)pyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate) is CC1=N/C(=C(\c2[n-]c(C)c(C(=O)OCC(F)(F)F)c2C)c2c(C)cc(C)cc2C)C(C)=C1C(=O)OCC(F)(F)F.CC1=N/C(=C(\c2[n-]c(C)c(C(=O)OCC(F)(F)F)c2C)c2c(C)cc(C)cc2C)C(C)=C1C(=O)OCC(F)(F)F.[Co+2].

What is the InChIKey of cobalt(2+);bis(2,2,2-trifluoroethyl (5Z)-5-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxycarbonyl)pyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate)?

The InChIKey is GPVQJFWVDRUAPM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C28H28F6N2O4.Co/c2*1-12-8-13(2)19(14(3)9-12)22(23-15(4)20(17(6)35-23)25(37)39-10-27(29,30)31)24-16(5)21(18(7)36-24)26(38)40-11-28(32,33)34;/h2*8-9H,10-11H2,1-7H3,(H,35,36,37,38);/q;;+2/p-2.

What are the key properties of cobalt(2+);bis(2,2,2-trifluoroethyl (5Z)-5-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxycarbonyl)pyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate)?

cobalt(2+);bis(2,2,2-trifluoroethyl (5Z)-5-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxycarbonyl)pyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate) has a molecular weight of 1197.98 g/mol, XLogP of 13.12, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for cobalt(2+);bis(2,2,2-trifluoroethyl (5Z)-5-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxycarbonyl)pyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate) is sourced from PubChem (CID 169046243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).