cobalt(2+);bis([4-(trifluoromethyl)phenyl] (5Z)-5-[[3,5-dimethyl-4-[4-(trifluoromethyl)phenoxy]carbonylpyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate)

C76H62CoF12N4O8 — CID 169046204

IUPACcobalt(2+);bis([4-(trifluoromethyl)phenyl] (5Z)-5-[[3,5-dimethyl-4-[4-(trifluoromethyl)phenoxy]carbonylpyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate)
SMILESCC1=N/C(=C(\c2[n-]c(C)c(C(=O)Oc3ccc(C(F)(F)F)cc3)c2C)c2c(C)cc(C)cc2C)C(C)=C1C(=O)Oc1ccc(C(F)(F)F)cc1.CC1=N/C(=C(\c2[n-]c(C)c(C(=O)Oc3ccc(C(F)(F)F)cc3)c2C)c2c(C)cc(C)cc2C)C(C)=C1C(=O)Oc1ccc(C(F)(F)F)cc1.[Co+2]
InChIInChI=1S/2C38H32F6N2O4.Co/c2*1-18-16-19(2)29(20(3)17-18)32(33-21(4)30(23(6)45-33)35(47)49-27-12-8-25(9-13-27)37(39,40)41)34-22(5)31(24(7)46-34)36(48)50-28-14-10-26(11-15-28)38(42,43)44;/h2*8-17H,1-7H3,(H,45,46,47,48);/q;;+2/p-2
InChIKeyXIOBABIPXAAYKI-UHFFFAOYSA-L
MW1446.26 g/mol
LogP19.19
Rot. Bonds12

About cobalt(2+);bis([4-(trifluoromethyl)phenyl] (5Z)-5-[[3,5-dimethyl-4-[4-(trifluoromethyl)phenoxy]carbonylpyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate)

cobalt(2+);bis([4-(trifluoromethyl)phenyl] (5Z)-5-[[3,5-dimethyl-4-[4-(trifluoromethyl)phenoxy]carbonylpyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate) (PubChem CID 169046204) has the molecular formula C76H62CoF12N4O8 and a molecular weight of 1446.26 g/mol. Its IUPAC name is cobalt(2+);bis([4-(trifluoromethyl)phenyl] (5Z)-5-[[3,5-dimethyl-4-[4-(trifluoromethyl)phenoxy]carbonylpyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate).

Molecular Properties

Compound Namecobalt(2+);bis([4-(trifluoromethyl)phenyl] (5Z)-5-[[3,5-dimethyl-4-[4-(trifluoromethyl)phenoxy]carbonylpyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate)
PubChem CID169046204
Molecular FormulaC76H62CoF12N4O8
Molecular Weight1446.26 g/mol
Exact Mass1445.37
IUPAC Namecobalt(2+);bis([4-(trifluoromethyl)phenyl] (5Z)-5-[[3,5-dimethyl-4-[4-(trifluoromethyl)phenoxy]carbonylpyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate)
SMILESCC1=N/C(=C(\c2[n-]c(C)c(C(=O)Oc3ccc(C(F)(F)F)cc3)c2C)c2c(C)cc(C)cc2C)C(C)=C1C(=O)Oc1ccc(C(F)(F)F)cc1.CC1=N/C(=C(\c2[n-]c(C)c(C(=O)Oc3ccc(C(F)(F)F)cc3)c2C)c2c(C)cc(C)cc2C)C(C)=C1C(=O)Oc1ccc(C(F)(F)F)cc1.[Co+2]
InChIInChI=1S/2C38H32F6N2O4.Co/c2*1-18-16-19(2)29(20(3)17-18)32(33-21(4)30(23(6)45-33)35(47)49-27-12-8-25(9-13-27)37(39,40)41)34-22(5)31(24(7)46-34)36(48)50-28-14-10-26(11-15-28)38(42,43)44;/h2*8-17H,1-7H3,(H,45,46,47,48);/q;;+2/p-2
InChIKeyXIOBABIPXAAYKI-UHFFFAOYSA-L
XLogP19.19
TPSA158.12 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001446.26
LogP ≤ 519.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze cobalt(2+);bis([4-(trifluoromethyl)phenyl] (5Z)-5-[[3,5-dimethyl-4-[4-(trifluoromethyl)phenoxy]carbonylpyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis([4-(trifluoromethyl)phenyl] (5Z)-5-[[3,5-dimethyl-4-[4-(trifluoromethyl)phenoxy]carbonylpyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate)?
The IUPAC name of cobalt(2+);bis([4-(trifluoromethyl)phenyl] (5Z)-5-[[3,5-dimethyl-4-[4-(trifluoromethyl)phenoxy]carbonylpyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate) (CID 169046204) is cobalt(2+);bis([4-(trifluoromethyl)phenyl] (5Z)-5-[[3,5-dimethyl-4-[4-(trifluoromethyl)phenoxy]carbonylpyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate).
What is the SMILES notation for cobalt(2+);bis([4-(trifluoromethyl)phenyl] (5Z)-5-[[3,5-dimethyl-4-[4-(trifluoromethyl)phenoxy]carbonylpyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate)?
The canonical SMILES for cobalt(2+);bis([4-(trifluoromethyl)phenyl] (5Z)-5-[[3,5-dimethyl-4-[4-(trifluoromethyl)phenoxy]carbonylpyrrol-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)Oc3ccc(C(F)(F)F)cc3)c2C)c2c(C)cc(C)cc2C)C(C)=C1C(=O)Oc1ccc(C(F)(F)F)cc1.CC1=N/C(=C(\c2[n-]c(C)c(C(=O)Oc3ccc(C(F)(F)F)cc3)c2C)c2c(C)cc(C)cc2C)C(C)=C1C(=O)Oc1ccc(C(F)(F)F)cc1.[Co+2].
What is the InChIKey of cobalt(2+);bis([4-(trifluoromethyl)phenyl] (5Z)-5-[[3,5-dimethyl-4-[4-(trifluoromethyl)phenoxy]carbonylpyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate)?
The InChIKey is XIOBABIPXAAYKI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C38H32F6N2O4.Co/c2*1-18-16-19(2)29(20(3)17-18)32(33-21(4)30(23(6)45-33)35(47)49-27-12-8-25(9-13-27)37(39,40)41)34-22(5)31(24(7)46-34)36(48)50-28-14-10-26(11-15-28)38(42,43)44;/h2*8-17H,1-7H3,(H,45,46,47,48);/q;;+2/p-2.
What are the key properties of cobalt(2+);bis([4-(trifluoromethyl)phenyl] (5Z)-5-[[3,5-dimethyl-4-[4-(trifluoromethyl)phenoxy]carbonylpyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate)?
cobalt(2+);bis([4-(trifluoromethyl)phenyl] (5Z)-5-[[3,5-dimethyl-4-[4-(trifluoromethyl)phenoxy]carbonylpyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate) has a molecular weight of 1446.26 g/mol, XLogP of 19.19, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis([4-(trifluoromethyl)phenyl] (5Z)-5-[[3,5-dimethyl-4-[4-(trifluoromethyl)phenoxy]carbonylpyrrol-1-id-2-yl]-(2,4,6-trimethylphenyl)methylidene]-2,4-dimethylpyrrole-3-carboxylate) is sourced from PubChem (CID 169046204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).