benzene;tetrakis(cobalt(2+));bis(4,6-dipyridin-2-ylpyrimidine);octakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)

C74H34Co4F48N8O16 — CID 139154705

IUPACbenzene;tetrakis(cobalt(2+));bis(4,6-dipyridin-2-ylpyrimidine);octakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)
SMILESO=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.[Co+2].[Co+2].[Co+2].[Co+2].c1ccc(-c2cc(-c3ccccn3)ncn2)nc1.c1ccc(-c2cc(-c3ccccn3)ncn2)nc1.c1ccccc1
InChIInChI=1S/2C14H10N4.C6H6.8C5H2F6O2.4Co/c2*1-3-7-15-11(5-1)13-9-14(18-10-17-13)12-6-2-4-8-16-12;1-2-4-6-5-3-1;8*6-4(7,8)2(12)1-3(13)5(9,10)11;;;;/h2*1-10H;1-6H;8*1,12H;;;;/q;;;;;;;;;;;4*+2/p-8/b;;;8*2-1-;;;;
InChIKeyPKXMBVSDMCYRES-YYLCKQJDSA-F
MW2438.76 g/mol
LogP14.27
Rot. Bonds12

About benzene;tetrakis(cobalt(2+));bis(4,6-dipyridin-2-ylpyrimidine);octakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)

benzene;tetrakis(cobalt(2+));bis(4,6-dipyridin-2-ylpyrimidine);octakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate) (PubChem CID 139154705) has the molecular formula C74H34Co4F48N8O16 and a molecular weight of 2438.76 g/mol. Its IUPAC name is benzene;tetrakis(cobalt(2+));bis(4,6-dipyridin-2-ylpyrimidine);octakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate).

Molecular Properties

Compound Namebenzene;tetrakis(cobalt(2+));bis(4,6-dipyridin-2-ylpyrimidine);octakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)
PubChem CID139154705
Molecular FormulaC74H34Co4F48N8O16
Molecular Weight2438.76 g/mol
Exact Mass2437.87
IUPAC Namebenzene;tetrakis(cobalt(2+));bis(4,6-dipyridin-2-ylpyrimidine);octakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)
SMILESO=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.[Co+2].[Co+2].[Co+2].[Co+2].c1ccc(-c2cc(-c3ccccn3)ncn2)nc1.c1ccc(-c2cc(-c3ccccn3)ncn2)nc1.c1ccccc1
InChIInChI=1S/2C14H10N4.C6H6.8C5H2F6O2.4Co/c2*1-3-7-15-11(5-1)13-9-14(18-10-17-13)12-6-2-4-8-16-12;1-2-4-6-5-3-1;8*6-4(7,8)2(12)1-3(13)5(9,10)11;;;;/h2*1-10H;1-6H;8*1,12H;;;;/q;;;;;;;;;;;4*+2/p-8/b;;;8*2-1-;;;;
InChIKeyPKXMBVSDMCYRES-YYLCKQJDSA-F
XLogP14.27
TPSA424.16 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002438.76
LogP ≤ 514.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze benzene;tetrakis(cobalt(2+));bis(4,6-dipyridin-2-ylpyrimidine);octakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate) with MolForge

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Related Compounds

benzene;bis(2,3-dipyridin-2-ylpyrazine);octakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);tetrakis(manganese(2+))
CID 139154706
4-fluoro-2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]pyrimidine;4-(4-fluoro-2-pyridinyl)-6-methyl-2-(trifluoromethyl)-3H-pyridin-3-ide;hexakis(4-hydroxypent-3-en-2-one);hexakis(iridium);2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-4-(trifluoromethyl)pyrimidine;2-[2-methyl-6-(trifluoromethyl)-4H-pyridin-4-id-3-yl]-5-(trifluoromethyl)pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-4-(trifluoromethyl)pyrimidine;2-[6-methyl-2-(trifluoromethyl)-3H-pyridin-3-id-4-yl]-5-(trifluoromethyl)pyrimidine
CID 159829758
tris(4,4'-bipyrimidine)ruthenium(II) dihexafluorophosphate monoacetone
CID 139054855
Bis(2-methyl-4-pyridin-2-ylpyrimidine);tetrakis(2-pyridin-2-ylpyridine);bis(ruthenium(2+));tetrahexafluorophosphate
CID 139162696
Octasilver;hexafluorosilicon(2-);nitromethane;octakis(4-pyridin-2-ylpyrimidine);hexatetrafluoroborate
CID 139179646
Nonakis(copper(1+));ethene;nonakis(4-pyridin-2-ylpyrimidine);nonaperchlorate
CID 139180182
Tetrasilver;tetrakis(4-pyridin-2-ylpyrimidine);tetratetrafluoroborate
CID 139184942
Disilver;tetrakis(4-pyridin-2-ylpyrimidine);silver;bis(trifluoromethanesulfonate)
CID 139184943
Tetrakis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium
CID 22982382
Carbanide;iridium;bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium
CID 59184390
Carbanide;iridium;bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium;hydrate
CID 59184392
4,6-Diphenylpyrimidine;4,6-di(phenyl)pyrimidine;4-hydroxypent-3-en-2-one;iridium;bis(iridium(3+));hexakis(2-phenylpyridine)
CID 157397843

Frequently Asked Questions

What is the IUPAC name of benzene;tetrakis(cobalt(2+));bis(4,6-dipyridin-2-ylpyrimidine);octakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)?
The IUPAC name of benzene;tetrakis(cobalt(2+));bis(4,6-dipyridin-2-ylpyrimidine);octakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate) (CID 139154705) is benzene;tetrakis(cobalt(2+));bis(4,6-dipyridin-2-ylpyrimidine);octakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate).
What is the SMILES notation for benzene;tetrakis(cobalt(2+));bis(4,6-dipyridin-2-ylpyrimidine);octakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)?
The canonical SMILES for benzene;tetrakis(cobalt(2+));bis(4,6-dipyridin-2-ylpyrimidine);octakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate) is O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.[Co+2].[Co+2].[Co+2].[Co+2].c1ccc(-c2cc(-c3ccccn3)ncn2)nc1.c1ccc(-c2cc(-c3ccccn3)ncn2)nc1.c1ccccc1.
What is the InChIKey of benzene;tetrakis(cobalt(2+));bis(4,6-dipyridin-2-ylpyrimidine);octakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)?
The InChIKey is PKXMBVSDMCYRES-YYLCKQJDSA-F. The full InChI is InChI=1S/2C14H10N4.C6H6.8C5H2F6O2.4Co/c2*1-3-7-15-11(5-1)13-9-14(18-10-17-13)12-6-2-4-8-16-12;1-2-4-6-5-3-1;8*6-4(7,8)2(12)1-3(13)5(9,10)11;;;;/h2*1-10H;1-6H;8*1,12H;;;;/q;;;;;;;;;;;4*+2/p-8/b;;;8*2-1-;;;;.
What are the key properties of benzene;tetrakis(cobalt(2+));bis(4,6-dipyridin-2-ylpyrimidine);octakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate)?
benzene;tetrakis(cobalt(2+));bis(4,6-dipyridin-2-ylpyrimidine);octakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate) has a molecular weight of 2438.76 g/mol, XLogP of 14.27, 12 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;tetrakis(cobalt(2+));bis(4,6-dipyridin-2-ylpyrimidine);octakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate) is sourced from PubChem (CID 139154705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).