bis(cobalt(3+));3,6-dioxocyclohexa-1,4-diene-1,4-diolate;bis(propan-2-one);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);tetrahexafluorophosphate

C48H50Co2F24N8O6P4 — CID 139118214

IUPACbis(cobalt(3+));3,6-dioxocyclohexa-1,4-diene-1,4-diolate;bis(propan-2-one);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);tetrahexafluorophosphate
SMILESCC(C)=O.CC(C)=O.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O=C1C=C([O-])C(=O)C=C1[O-].[Co+3].[Co+3].c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1
InChIInChI=1S/2C18H18N4.C6H4O4.2C3H6O.2Co.4F6P/c2*1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;7-3-1-4(8)6(10)2-5(3)9;2*1-3(2)4;;;4*1-7(2,3,4,5)6/h2*1-12H,13-15H2;1-2,7,10H;2*1-2H3;;;;;;/q;;;;;2*+3;4*-1/p-2
InChIKeyNMPYQMJOAZEDFS-UHFFFAOYSA-L
MW1532.69 g/mol
LogP18.49
Rot. Bonds12

About bis(cobalt(3+));3,6-dioxocyclohexa-1,4-diene-1,4-diolate;bis(propan-2-one);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);tetrahexafluorophosphate

bis(cobalt(3+));3,6-dioxocyclohexa-1,4-diene-1,4-diolate;bis(propan-2-one);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);tetrahexafluorophosphate (PubChem CID 139118214) has the molecular formula C48H50Co2F24N8O6P4 and a molecular weight of 1532.69 g/mol. Its IUPAC name is bis(cobalt(3+));3,6-dioxocyclohexa-1,4-diene-1,4-diolate;bis(propan-2-one);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);tetrahexafluorophosphate.

Molecular Properties

Compound Namebis(cobalt(3+));3,6-dioxocyclohexa-1,4-diene-1,4-diolate;bis(propan-2-one);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);tetrahexafluorophosphate
PubChem CID139118214
Molecular FormulaC48H50Co2F24N8O6P4
Molecular Weight1532.69 g/mol
Exact Mass1532.11
IUPAC Namebis(cobalt(3+));3,6-dioxocyclohexa-1,4-diene-1,4-diolate;bis(propan-2-one);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);tetrahexafluorophosphate
SMILESCC(C)=O.CC(C)=O.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O=C1C=C([O-])C(=O)C=C1[O-].[Co+3].[Co+3].c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1
InChIInChI=1S/2C18H18N4.C6H4O4.2C3H6O.2Co.4F6P/c2*1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;7-3-1-4(8)6(10)2-5(3)9;2*1-3(2)4;;;4*1-7(2,3,4,5)6/h2*1-12H,13-15H2;1-2,7,10H;2*1-2H3;;;;;;/q;;;;;2*+3;4*-1/p-2
InChIKeyNMPYQMJOAZEDFS-UHFFFAOYSA-L
XLogP18.49
TPSA198.22 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001532.69
LogP ≤ 518.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

tetrakis(2-[3,5-bis(trifluoromethyl)pyrrol-1-id-2-yl]pyridine);tetrakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);tetrakis(palladium(2+))
CID 139180942
Tetrakis(acetonitrile);tetrakis(2,6-dipyridin-2-ylpyridine);bis(iron(2+));tetrahexafluorophosphate
CID 139052663
Ru-bis(terpyridine)(PF~6~)~2~
CID 139056397
bis(oxygen(2-));bis(propan-2-one);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);rhenium;tetrahexafluorophosphate;tetrahydrate
CID 139057412
Acetato(methanol)[N-phenyl-N,N-bis(2-pyridylmethyl)amine]copper(II) hexafluorophosphate
CID 139067528
mu-nitrato-bis[(2,2':6',2''-terpyridyl-kappa3N)palladium(II)] hexakis(hexafluorophosphate) acetonitrile solvate
CID 139073110
mu-2,3,5,6-Tetrakis(pyridin-2-yl)pyrazine-bis[(2,2':6',2''-terpyridine)ruthenium(II)] tetrakis(hexafluoridophosphate) acetonitrile tetrasolvate
CID 139085233
acetylacetonate bis(bipyridine) nickel (II) hexafluorophosphate
CID 139121207
tris(acetonitrile);bis(oxygen(2-));bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);uranium;diiodide
CID 139131473
Bis(2,6-dipyridin-2-ylpyridine);hexanedinitrile;tetrakis(propan-2-one);2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine;bis(ruthenium(2+));trihexafluorophosphate
CID 139136941
bis(cobalt(3+));3,6-dioxocyclohexa-1,4-diene-1,4-diolate;bis(2-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)ethanamine);tetratetrafluoroborate
CID 139139388
dicopper;3,6-dioxocyclohexa-1,4-diene-1,4-diolate;methanol;bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);diperchlorate
CID 139140081

Frequently Asked Questions

What is the IUPAC name of bis(cobalt(3+));3,6-dioxocyclohexa-1,4-diene-1,4-diolate;bis(propan-2-one);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);tetrahexafluorophosphate?
The IUPAC name of bis(cobalt(3+));3,6-dioxocyclohexa-1,4-diene-1,4-diolate;bis(propan-2-one);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);tetrahexafluorophosphate (CID 139118214) is bis(cobalt(3+));3,6-dioxocyclohexa-1,4-diene-1,4-diolate;bis(propan-2-one);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);tetrahexafluorophosphate.
What is the SMILES notation for bis(cobalt(3+));3,6-dioxocyclohexa-1,4-diene-1,4-diolate;bis(propan-2-one);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);tetrahexafluorophosphate?
The canonical SMILES for bis(cobalt(3+));3,6-dioxocyclohexa-1,4-diene-1,4-diolate;bis(propan-2-one);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);tetrahexafluorophosphate is CC(C)=O.CC(C)=O.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.O=C1C=C([O-])C(=O)C=C1[O-].[Co+3].[Co+3].c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.c1ccc(CN(Cc2ccccn2)Cc2ccccn2)nc1.
What is the InChIKey of bis(cobalt(3+));3,6-dioxocyclohexa-1,4-diene-1,4-diolate;bis(propan-2-one);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);tetrahexafluorophosphate?
The InChIKey is NMPYQMJOAZEDFS-UHFFFAOYSA-L. The full InChI is InChI=1S/2C18H18N4.C6H4O4.2C3H6O.2Co.4F6P/c2*1-4-10-19-16(7-1)13-22(14-17-8-2-5-11-20-17)15-18-9-3-6-12-21-18;7-3-1-4(8)6(10)2-5(3)9;2*1-3(2)4;;;4*1-7(2,3,4,5)6/h2*1-12H,13-15H2;1-2,7,10H;2*1-2H3;;;;;;/q;;;;;2*+3;4*-1/p-2.
What are the key properties of bis(cobalt(3+));3,6-dioxocyclohexa-1,4-diene-1,4-diolate;bis(propan-2-one);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);tetrahexafluorophosphate?
bis(cobalt(3+));3,6-dioxocyclohexa-1,4-diene-1,4-diolate;bis(propan-2-one);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);tetrahexafluorophosphate has a molecular weight of 1532.69 g/mol, XLogP of 18.49, 12 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cobalt(3+));3,6-dioxocyclohexa-1,4-diene-1,4-diolate;bis(propan-2-one);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);tetrahexafluorophosphate is sourced from PubChem (CID 139118214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).