tris(acetonitrile);tris(cobalt(2+));tetrakis(dipyridin-2-ylazanide);ethoxyethane;dihexafluorophosphate

C50H51Co3F12N15OP2 — CID 139051549

IUPACtris(acetonitrile);tris(cobalt(2+));tetrakis(dipyridin-2-ylazanide);ethoxyethane;dihexafluorophosphate
SMILESCC#N.CC#N.CC#N.CCOCC.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Co+2].[Co+2].[Co+2].c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1
InChIInChI=1S/4C10H8N3.C4H10O.3C2H3N.3Co.2F6P/c4*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;1-3-5-4-2;3*1-2-3;;;;2*1-7(2,3,4,5)6/h4*1-8H;3-4H2,1-2H3;3*1H3;;;;;/q4*-1;;;;;3*+2;2*-1
InChIKeyRFMRMHDBZODWSN-UHFFFAOYSA-N
MW1344.78 g/mol
LogP20.64
Rot. Bonds10

About tris(acetonitrile);tris(cobalt(2+));tetrakis(dipyridin-2-ylazanide);ethoxyethane;dihexafluorophosphate

tris(acetonitrile);tris(cobalt(2+));tetrakis(dipyridin-2-ylazanide);ethoxyethane;dihexafluorophosphate (PubChem CID 139051549) has the molecular formula C50H51Co3F12N15OP2 and a molecular weight of 1344.78 g/mol. Its IUPAC name is tris(acetonitrile);tris(cobalt(2+));tetrakis(dipyridin-2-ylazanide);ethoxyethane;dihexafluorophosphate.

Molecular Properties

Compound Nametris(acetonitrile);tris(cobalt(2+));tetrakis(dipyridin-2-ylazanide);ethoxyethane;dihexafluorophosphate
PubChem CID139051549
Molecular FormulaC50H51Co3F12N15OP2
Molecular Weight1344.78 g/mol
Exact Mass1344.17
IUPAC Nametris(acetonitrile);tris(cobalt(2+));tetrakis(dipyridin-2-ylazanide);ethoxyethane;dihexafluorophosphate
SMILESCC#N.CC#N.CC#N.CCOCC.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Co+2].[Co+2].[Co+2].c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1
InChIInChI=1S/4C10H8N3.C4H10O.3C2H3N.3Co.2F6P/c4*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;1-3-5-4-2;3*1-2-3;;;;2*1-7(2,3,4,5)6/h4*1-8H;3-4H2,1-2H3;3*1H3;;;;;/q4*-1;;;;;3*+2;2*-1
InChIKeyRFMRMHDBZODWSN-UHFFFAOYSA-N
XLogP20.64
TPSA240.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms83
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001344.78
LogP ≤ 520.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

Tetrakis(cobalt(2+));cobalt(3+);tetrakis(pyridin-2-yl-(6-pyridin-2-ylazanidyl-2-pyridinyl)azanide);tris(trifluoromethanesulfonate)
CID 139154587
Cr3(dpa)4(NO3)2,Et2O
CID 139119133
Cr3(dpa)4(NCO)2
CID 139119135
Tetrakis(nickel(2+));pentane;tetrakis(phenyl-(6-pyridin-2-ylazanidyl-2-pyridinyl)azanide)
CID 139120466
Tetrakis(2,2'-dipyridylamidinato)dichromium(II)
CID 139120522
Tetrakis(dipyridin-2-ylazanide);bis(tungsten(2+))
CID 139127429
Tricopper;tetrakis(dipyridin-2-ylazanide);ditetrafluoroborate
CID 139131031
Ni5(etda)4(PF6)3 4Acetone
CID 139131289
Tris(cobalt(2+));cyanoiminomethylideneazanide;bis(dichloromethane);tetrakis(dipyridin-2-ylazanide)
CID 139133549
Tetrakis(acetonitrile);tetrakis(copper(1+));heptakis([1,2,5]selenadiazolo[3,4-b]pyridine);tetrahexafluorophosphate;hydrate
CID 139137538
Bis(dipyridin-2-ylazanide);ethoxyethane;bis(methylsulfonyl-(6-methylsulfonylazanidyl-2-pyridinyl)azanide);tris(nickel(2+))
CID 139152975
Tetrakis(cobalt(2+));cobalt(3+);tetrakis(pyridin-2-yl-(6-pyridin-2-ylazanidyl-2-pyridinyl)azanide);diisothiocyanate;perchlorate
CID 139154585

Frequently Asked Questions

What is the IUPAC name of tris(acetonitrile);tris(cobalt(2+));tetrakis(dipyridin-2-ylazanide);ethoxyethane;dihexafluorophosphate?
The IUPAC name of tris(acetonitrile);tris(cobalt(2+));tetrakis(dipyridin-2-ylazanide);ethoxyethane;dihexafluorophosphate (CID 139051549) is tris(acetonitrile);tris(cobalt(2+));tetrakis(dipyridin-2-ylazanide);ethoxyethane;dihexafluorophosphate.
What is the SMILES notation for tris(acetonitrile);tris(cobalt(2+));tetrakis(dipyridin-2-ylazanide);ethoxyethane;dihexafluorophosphate?
The canonical SMILES for tris(acetonitrile);tris(cobalt(2+));tetrakis(dipyridin-2-ylazanide);ethoxyethane;dihexafluorophosphate is CC#N.CC#N.CC#N.CCOCC.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Co+2].[Co+2].[Co+2].c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.
What is the InChIKey of tris(acetonitrile);tris(cobalt(2+));tetrakis(dipyridin-2-ylazanide);ethoxyethane;dihexafluorophosphate?
The InChIKey is RFMRMHDBZODWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H8N3.C4H10O.3C2H3N.3Co.2F6P/c4*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;1-3-5-4-2;3*1-2-3;;;;2*1-7(2,3,4,5)6/h4*1-8H;3-4H2,1-2H3;3*1H3;;;;;/q4*-1;;;;;3*+2;2*-1.
What are the key properties of tris(acetonitrile);tris(cobalt(2+));tetrakis(dipyridin-2-ylazanide);ethoxyethane;dihexafluorophosphate?
tris(acetonitrile);tris(cobalt(2+));tetrakis(dipyridin-2-ylazanide);ethoxyethane;dihexafluorophosphate has a molecular weight of 1344.78 g/mol, XLogP of 20.64, 10 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for tris(acetonitrile);tris(cobalt(2+));tetrakis(dipyridin-2-ylazanide);ethoxyethane;dihexafluorophosphate is sourced from PubChem (CID 139051549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).