cobalt(2+);pyrazino[2,3-f][1,10]phenanthroline;bis((Z)-4,4,4-trifluoro-3-oxo-1-phenylbut-1-en-1-olate)

C34H20CoF6N4O4 — CID 139240245

IUPACcobalt(2+);pyrazino[2,3-f][1,10]phenanthroline;bis((Z)-4,4,4-trifluoro-3-oxo-1-phenylbut-1-en-1-olate)
SMILESO=C(/C=C(\[O-])c1ccccc1)C(F)(F)F.O=C(/C=C(\[O-])c1ccccc1)C(F)(F)F.[Co+2].c1cnc2c(c1)c1nccnc1c1cccnc12
InChIInChI=1S/C14H8N4.2C10H7F3O2.Co/c1-3-9-11(15-5-1)12-10(4-2-6-16-12)14-13(9)17-7-8-18-14;2*11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7;/h1-8H;2*1-6,14H;/q;;;+2/p-2/b;2*8-6-;
InChIKeyDOYGVBGAIDKDFE-VNONHLNDSA-L
MW721.48 g/mol
LogP5.76
Rot. Bonds4

About cobalt(2+);pyrazino[2,3-f][1,10]phenanthroline;bis((Z)-4,4,4-trifluoro-3-oxo-1-phenylbut-1-en-1-olate)

cobalt(2+);pyrazino[2,3-f][1,10]phenanthroline;bis((Z)-4,4,4-trifluoro-3-oxo-1-phenylbut-1-en-1-olate) (PubChem CID 139240245) has the molecular formula C34H20CoF6N4O4 and a molecular weight of 721.48 g/mol. Its IUPAC name is cobalt(2+);pyrazino[2,3-f][1,10]phenanthroline;bis((Z)-4,4,4-trifluoro-3-oxo-1-phenylbut-1-en-1-olate).

Molecular Properties

Compound Namecobalt(2+);pyrazino[2,3-f][1,10]phenanthroline;bis((Z)-4,4,4-trifluoro-3-oxo-1-phenylbut-1-en-1-olate)
PubChem CID139240245
Molecular FormulaC34H20CoF6N4O4
Molecular Weight721.48 g/mol
Exact Mass721.07
IUPAC Namecobalt(2+);pyrazino[2,3-f][1,10]phenanthroline;bis((Z)-4,4,4-trifluoro-3-oxo-1-phenylbut-1-en-1-olate)
SMILESO=C(/C=C(\[O-])c1ccccc1)C(F)(F)F.O=C(/C=C(\[O-])c1ccccc1)C(F)(F)F.[Co+2].c1cnc2c(c1)c1nccnc1c1cccnc12
InChIInChI=1S/C14H8N4.2C10H7F3O2.Co/c1-3-9-11(15-5-1)12-10(4-2-6-16-12)14-13(9)17-7-8-18-14;2*11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7;/h1-8H;2*1-6,14H;/q;;;+2/p-2/b;2*8-6-;
InChIKeyDOYGVBGAIDKDFE-VNONHLNDSA-L
XLogP5.76
TPSA131.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.48
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze cobalt(2+);pyrazino[2,3-f][1,10]phenanthroline;bis((Z)-4,4,4-trifluoro-3-oxo-1-phenylbut-1-en-1-olate) with MolForge

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

Launch Full Analysis

Related Compounds

bis(tetrabutylazanium);bis(2,2,2-trifluoro-N-(1,10-phenanthrolin-5-yl)ethanimidate);dihydrate
CID 139157148
dysprosium(3+);5-nitro-1,10-phenanthroline;bis((Z)-1,1,1-trifluoro-4-(4-methylphenyl)-4-oxobut-2-en-2-olate);(Z)-4,4,4-trifluoro-1-(4-methylphenyl)-3-oxobut-1-en-1-olate
CID 139168133
dysprosium;1,10-phenanthroline;(Z)-1,1,1-trifluoro-4-methanidyloxy-4-phenylbut-3-en-2-one
CID 57553295
dysprosium;1,10-phenanthroline;(Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one
CID 59381361
4,7-diphenyl-1,10-phenanthroline;europium;propane;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one
CID 145010484
2-[[6-[(2-Hydroxyphenyl)methylideneamino]-1,10-phenanthrolin-5-yl]iminomethyl]phenol
CID 136610168
cobalt(2+);(Z)-3-oxo-1,3-diphenylprop-1-en-1-olate;(E)-3-oxo-1,3-diphenylprop-1-en-1-olate;pyrazino[2,3-f][1,10]phenanthroline
CID 139240243
cobalt;(Z)-4-hydroxypent-3-en-2-one;(E)-4-hydroxypent-3-en-2-one;methanol;quinoxalino[2,3-f][1,10]phenanthroline
CID 139240244
gadolinium(3+);tris((Z)-4-oxopent-2-en-2-olate);pyrazino[2,3-f][1,10]phenanthroline
CID 168343065
Copper;quinoxalino[2,3-f][1,10]phenanthroline;4,4,4-trifluoro-1-phenylbutane-1,3-dione;nitrate
CID 72194721
2,3-Bis(4-fluorophenyl)pyrazino[2,3-f][1,10]phenanthroline
CID 101509640
Tris(dibenzoylmethane) mono(5-amino-1,10-phenanthroline)europium (lll)
CID 71311330

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);pyrazino[2,3-f][1,10]phenanthroline;bis((Z)-4,4,4-trifluoro-3-oxo-1-phenylbut-1-en-1-olate)?
The IUPAC name of cobalt(2+);pyrazino[2,3-f][1,10]phenanthroline;bis((Z)-4,4,4-trifluoro-3-oxo-1-phenylbut-1-en-1-olate) (CID 139240245) is cobalt(2+);pyrazino[2,3-f][1,10]phenanthroline;bis((Z)-4,4,4-trifluoro-3-oxo-1-phenylbut-1-en-1-olate).
What is the SMILES notation for cobalt(2+);pyrazino[2,3-f][1,10]phenanthroline;bis((Z)-4,4,4-trifluoro-3-oxo-1-phenylbut-1-en-1-olate)?
The canonical SMILES for cobalt(2+);pyrazino[2,3-f][1,10]phenanthroline;bis((Z)-4,4,4-trifluoro-3-oxo-1-phenylbut-1-en-1-olate) is O=C(/C=C(\[O-])c1ccccc1)C(F)(F)F.O=C(/C=C(\[O-])c1ccccc1)C(F)(F)F.[Co+2].c1cnc2c(c1)c1nccnc1c1cccnc12.
What is the InChIKey of cobalt(2+);pyrazino[2,3-f][1,10]phenanthroline;bis((Z)-4,4,4-trifluoro-3-oxo-1-phenylbut-1-en-1-olate)?
The InChIKey is DOYGVBGAIDKDFE-VNONHLNDSA-L. The full InChI is InChI=1S/C14H8N4.2C10H7F3O2.Co/c1-3-9-11(15-5-1)12-10(4-2-6-16-12)14-13(9)17-7-8-18-14;2*11-10(12,13)9(15)6-8(14)7-4-2-1-3-5-7;/h1-8H;2*1-6,14H;/q;;;+2/p-2/b;2*8-6-;.
What are the key properties of cobalt(2+);pyrazino[2,3-f][1,10]phenanthroline;bis((Z)-4,4,4-trifluoro-3-oxo-1-phenylbut-1-en-1-olate)?
cobalt(2+);pyrazino[2,3-f][1,10]phenanthroline;bis((Z)-4,4,4-trifluoro-3-oxo-1-phenylbut-1-en-1-olate) has a molecular weight of 721.48 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);pyrazino[2,3-f][1,10]phenanthroline;bis((Z)-4,4,4-trifluoro-3-oxo-1-phenylbut-1-en-1-olate) is sourced from PubChem (CID 139240245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).