tetrakis(cobalt(2+));tetrakis([2,6-di(propan-2-yl)phenyl] phosphate);tetrakis(pyridin-2-amine)

C68H92Co4N8O16P4 — CID 139165763

IUPACtetrakis(cobalt(2+));tetrakis([2,6-di(propan-2-yl)phenyl] phosphate);tetrakis(pyridin-2-amine)
SMILESCC(C)c1cccc(C(C)C)c1OP(=O)([O-])[O-].CC(C)c1cccc(C(C)C)c1OP(=O)([O-])[O-].CC(C)c1cccc(C(C)C)c1OP(=O)([O-])[O-].CC(C)c1cccc(C(C)C)c1OP(=O)([O-])[O-].Nc1ccccn1.Nc1ccccn1.Nc1ccccn1.Nc1ccccn1.[Co+2].[Co+2].[Co+2].[Co+2]
InChIInChI=1S/4C12H19O4P.4C5H6N2.4Co/c4*1-8(2)10-6-5-7-11(9(3)4)12(10)16-17(13,14)15;4*6-5-3-1-2-4-7-5;;;;/h4*5-9H,1-4H3,(H2,13,14,15);4*1-4H,(H2,6,7);;;;/q;;;;;;;;4*+2/p-8
InChIKeyUZJJNQTUBVFDHO-UHFFFAOYSA-F
MW1637.15 g/mol
LogP11.21
Rot. Bonds16

About tetrakis(cobalt(2+));tetrakis([2,6-di(propan-2-yl)phenyl] phosphate);tetrakis(pyridin-2-amine)

tetrakis(cobalt(2+));tetrakis([2,6-di(propan-2-yl)phenyl] phosphate);tetrakis(pyridin-2-amine) (PubChem CID 139165763) has the molecular formula C68H92Co4N8O16P4 and a molecular weight of 1637.15 g/mol. Its IUPAC name is tetrakis(cobalt(2+));tetrakis([2,6-di(propan-2-yl)phenyl] phosphate);tetrakis(pyridin-2-amine).

Molecular Properties

Compound Nametetrakis(cobalt(2+));tetrakis([2,6-di(propan-2-yl)phenyl] phosphate);tetrakis(pyridin-2-amine)
PubChem CID139165763
Molecular FormulaC68H92Co4N8O16P4
Molecular Weight1637.15 g/mol
Exact Mass1636.29
IUPAC Nametetrakis(cobalt(2+));tetrakis([2,6-di(propan-2-yl)phenyl] phosphate);tetrakis(pyridin-2-amine)
SMILESCC(C)c1cccc(C(C)C)c1OP(=O)([O-])[O-].CC(C)c1cccc(C(C)C)c1OP(=O)([O-])[O-].CC(C)c1cccc(C(C)C)c1OP(=O)([O-])[O-].CC(C)c1cccc(C(C)C)c1OP(=O)([O-])[O-].Nc1ccccn1.Nc1ccccn1.Nc1ccccn1.Nc1ccccn1.[Co+2].[Co+2].[Co+2].[Co+2]
InChIInChI=1S/4C12H19O4P.4C5H6N2.4Co/c4*1-8(2)10-6-5-7-11(9(3)4)12(10)16-17(13,14)15;4*6-5-3-1-2-4-7-5;;;;/h4*5-9H,1-4H3,(H2,13,14,15);4*1-4H,(H2,6,7);;;;/q;;;;;;;;4*+2/p-8
InChIKeyUZJJNQTUBVFDHO-UHFFFAOYSA-F
XLogP11.21
TPSA445.32 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001637.15
LogP ≤ 511.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

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Related Compounds

Tetrazinc;tetrakis([4-bromo-2,6-di(propan-2-yl)phenyl] phosphate);methanol;tetrakis(pyridin-2-amine)
CID 139143012
Tetrazinc;tetrakis([4-iodo-2,6-di(propan-2-yl)phenyl] phosphate);methanol;tetrakis(pyridin-2-amine)
CID 139143013
Cobalt(2+);bis([2,6-di(propan-2-yl)phenyl] hydrogen phosphate);tetrakis(pyridine)
CID 139165759
tetrakis(N-methylpyridin-2-amine);bis(2-[2-oxido-3-[4-[2-oxido-3-(2-oxido-3-phenylphenyl)phenyl]phenyl]phenyl]-6-phenylphenolate);bis(titanium(4+));toluene
CID 139173206
tris(cobalt(2+));bis(pyridin-2-amine);tetrakis(2-[(E)-pyridin-2-yliminomethyl]phenolate);diperchlorate
CID 139206120
3,9,15,21-Tetraethyl-6,12,18,39-tetramethyl-25,29,33,37-tetrakis(3-pyridin-1-ium-1-ylpropyl)-2,4,8,10,14,16,20,22-octaoxa-3lambda5,9lambda5,15lambda5,21lambda5-tetraphosphanonacyclo[21.15.1.124,38.05,36.07,34.011,32.013,30.017,28.019,26]tetraconta-1(39),5,7(34),11,13(30),17(28),18,23,26,31,35,38(40)-dodecaene 3,9,15,21-tetraoxide
CID 155295703

Frequently Asked Questions

What is the IUPAC name of tetrakis(cobalt(2+));tetrakis([2,6-di(propan-2-yl)phenyl] phosphate);tetrakis(pyridin-2-amine)?
The IUPAC name of tetrakis(cobalt(2+));tetrakis([2,6-di(propan-2-yl)phenyl] phosphate);tetrakis(pyridin-2-amine) (CID 139165763) is tetrakis(cobalt(2+));tetrakis([2,6-di(propan-2-yl)phenyl] phosphate);tetrakis(pyridin-2-amine).
What is the SMILES notation for tetrakis(cobalt(2+));tetrakis([2,6-di(propan-2-yl)phenyl] phosphate);tetrakis(pyridin-2-amine)?
The canonical SMILES for tetrakis(cobalt(2+));tetrakis([2,6-di(propan-2-yl)phenyl] phosphate);tetrakis(pyridin-2-amine) is CC(C)c1cccc(C(C)C)c1OP(=O)([O-])[O-].CC(C)c1cccc(C(C)C)c1OP(=O)([O-])[O-].CC(C)c1cccc(C(C)C)c1OP(=O)([O-])[O-].CC(C)c1cccc(C(C)C)c1OP(=O)([O-])[O-].Nc1ccccn1.Nc1ccccn1.Nc1ccccn1.Nc1ccccn1.[Co+2].[Co+2].[Co+2].[Co+2].
What is the InChIKey of tetrakis(cobalt(2+));tetrakis([2,6-di(propan-2-yl)phenyl] phosphate);tetrakis(pyridin-2-amine)?
The InChIKey is UZJJNQTUBVFDHO-UHFFFAOYSA-F. The full InChI is InChI=1S/4C12H19O4P.4C5H6N2.4Co/c4*1-8(2)10-6-5-7-11(9(3)4)12(10)16-17(13,14)15;4*6-5-3-1-2-4-7-5;;;;/h4*5-9H,1-4H3,(H2,13,14,15);4*1-4H,(H2,6,7);;;;/q;;;;;;;;4*+2/p-8.
What are the key properties of tetrakis(cobalt(2+));tetrakis([2,6-di(propan-2-yl)phenyl] phosphate);tetrakis(pyridin-2-amine)?
tetrakis(cobalt(2+));tetrakis([2,6-di(propan-2-yl)phenyl] phosphate);tetrakis(pyridin-2-amine) has a molecular weight of 1637.15 g/mol, XLogP of 11.21, 16 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(cobalt(2+));tetrakis([2,6-di(propan-2-yl)phenyl] phosphate);tetrakis(pyridin-2-amine) is sourced from PubChem (CID 139165763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).