cobalt(2+);bis([2,6-di(propan-2-yl)phenyl] hydrogen phosphate);tetrakis(pyridine)

C44H56CoN4O8P2 — CID 139165759

IUPACcobalt(2+);bis([2,6-di(propan-2-yl)phenyl] hydrogen phosphate);tetrakis(pyridine)
SMILESCC(C)c1cccc(C(C)C)c1OP(=O)([O-])O.CC(C)c1cccc(C(C)C)c1OP(=O)([O-])O.[Co+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C12H19O4P.4C5H5N.Co/c2*1-8(2)10-6-5-7-11(9(3)4)12(10)16-17(13,14)15;4*1-2-4-6-5-3-1;/h2*5-9H,1-4H3,(H2,13,14,15);4*1-5H;/q;;;;;;+2/p-2
InChIKeyYNNAEEHZXQFSSO-UHFFFAOYSA-L
MW889.83 g/mol
LogP9.87
Rot. Bonds8

About cobalt(2+);bis([2,6-di(propan-2-yl)phenyl] hydrogen phosphate);tetrakis(pyridine)

cobalt(2+);bis([2,6-di(propan-2-yl)phenyl] hydrogen phosphate);tetrakis(pyridine) (PubChem CID 139165759) has the molecular formula C44H56CoN4O8P2 and a molecular weight of 889.83 g/mol. Its IUPAC name is cobalt(2+);bis([2,6-di(propan-2-yl)phenyl] hydrogen phosphate);tetrakis(pyridine).

Molecular Properties

Compound Namecobalt(2+);bis([2,6-di(propan-2-yl)phenyl] hydrogen phosphate);tetrakis(pyridine)
PubChem CID139165759
Molecular FormulaC44H56CoN4O8P2
Molecular Weight889.83 g/mol
Exact Mass889.29
IUPAC Namecobalt(2+);bis([2,6-di(propan-2-yl)phenyl] hydrogen phosphate);tetrakis(pyridine)
SMILESCC(C)c1cccc(C(C)C)c1OP(=O)([O-])O.CC(C)c1cccc(C(C)C)c1OP(=O)([O-])O.[Co+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C12H19O4P.4C5H5N.Co/c2*1-8(2)10-6-5-7-11(9(3)4)12(10)16-17(13,14)15;4*1-2-4-6-5-3-1;/h2*5-9H,1-4H3,(H2,13,14,15);4*1-5H;/q;;;;;;+2/p-2
InChIKeyYNNAEEHZXQFSSO-UHFFFAOYSA-L
XLogP9.87
TPSA190.74 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500889.83
LogP ≤ 59.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

4,4,6,6-Tetrapyridin-2-yloxyspiro[1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene-2,6'-benzo[d][1,3,2]benzodioxaphosphepine]
CID 101450386
4,4,6,6-Tetrapyridin-3-yloxyspiro[1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene-2,6'-benzo[d][1,3,2]benzodioxaphosphepine]
CID 102199832
5,11,23-Trimethyl-17,29-bis(6-pyridin-2-yl-3-pyridinyl)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9(34),10,12,15(33),16,18,21(32),22,24,27,29-pentadecaene-31,32,33,34,35-pentol
CID 137309359
bis(2,6-dimethylphenyl) [(1S,2S)-1,2-diphenyl-1-pyridin-4-ylbutyl] phosphate
CID 139051369
4,4'-Methylenediphenol-4,4'-bipyridine (2/3)
CID 139060752
C-Methylcalix[4]resorcinarene-1,4-bis(pyridin-3-yl)-2,3-diaza-1,3-butadiene (1/2)
CID 139083045
(2) (Cd3(DMP)4(N(Si(CH3)3)2)2(py)2)
CID 139129329
(5) (Cd(DMP)2(py)2)2
CID 139129333
(10) Dy(DMP)3(py)3
CID 139129337
(18) Dy(DBP)3(py)2
CID 139129342
Bis(2,6-dimethylphenolate);molybdenum;bis(oxygen(2-));bis(pyridine)
CID 139130092
Bis(neodymium(3+));tetrakis(pyridine);toluene;hexakis(2,4,6-trimethylphenolate)
CID 139133345

Frequently Asked Questions

What is the IUPAC name of cobalt(2+);bis([2,6-di(propan-2-yl)phenyl] hydrogen phosphate);tetrakis(pyridine)?
The IUPAC name of cobalt(2+);bis([2,6-di(propan-2-yl)phenyl] hydrogen phosphate);tetrakis(pyridine) (CID 139165759) is cobalt(2+);bis([2,6-di(propan-2-yl)phenyl] hydrogen phosphate);tetrakis(pyridine).
What is the SMILES notation for cobalt(2+);bis([2,6-di(propan-2-yl)phenyl] hydrogen phosphate);tetrakis(pyridine)?
The canonical SMILES for cobalt(2+);bis([2,6-di(propan-2-yl)phenyl] hydrogen phosphate);tetrakis(pyridine) is CC(C)c1cccc(C(C)C)c1OP(=O)([O-])O.CC(C)c1cccc(C(C)C)c1OP(=O)([O-])O.[Co+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of cobalt(2+);bis([2,6-di(propan-2-yl)phenyl] hydrogen phosphate);tetrakis(pyridine)?
The InChIKey is YNNAEEHZXQFSSO-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H19O4P.4C5H5N.Co/c2*1-8(2)10-6-5-7-11(9(3)4)12(10)16-17(13,14)15;4*1-2-4-6-5-3-1;/h2*5-9H,1-4H3,(H2,13,14,15);4*1-5H;/q;;;;;;+2/p-2.
What are the key properties of cobalt(2+);bis([2,6-di(propan-2-yl)phenyl] hydrogen phosphate);tetrakis(pyridine)?
cobalt(2+);bis([2,6-di(propan-2-yl)phenyl] hydrogen phosphate);tetrakis(pyridine) has a molecular weight of 889.83 g/mol, XLogP of 9.87, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(2+);bis([2,6-di(propan-2-yl)phenyl] hydrogen phosphate);tetrakis(pyridine) is sourced from PubChem (CID 139165759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).