bis(cobalt(2+));bis([2,6-di(propan-2-yl)phenyl] phosphate);methanol;bis(1,10-phenanthroline)

C54H74Co2N4O14P2 — CID 139165761

IUPACbis(cobalt(2+));bis([2,6-di(propan-2-yl)phenyl] phosphate);methanol;bis(1,10-phenanthroline)
SMILESCC(C)c1cccc(C(C)C)c1OP(=O)([O-])[O-].CC(C)c1cccc(C(C)C)c1OP(=O)([O-])[O-].CO.CO.CO.CO.CO.CO.[Co+2].[Co+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.2C12H19O4P.6CH4O.2Co/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-8(2)10-6-5-7-11(9(3)4)12(10)16-17(13,14)15;6*1-2;;/h2*1-8H;2*5-9H,1-4H3,(H2,13,14,15);6*2H,1H3;;/q;;;;;;;;;;2*+2/p-4
InChIKeyYVCIRHPGGFICKT-UHFFFAOYSA-J
MW1183.01 g/mol
LogP7.49
Rot. Bonds8

About bis(cobalt(2+));bis([2,6-di(propan-2-yl)phenyl] phosphate);methanol;bis(1,10-phenanthroline)

bis(cobalt(2+));bis([2,6-di(propan-2-yl)phenyl] phosphate);methanol;bis(1,10-phenanthroline) (PubChem CID 139165761) has the molecular formula C54H74Co2N4O14P2 and a molecular weight of 1183.01 g/mol. Its IUPAC name is bis(cobalt(2+));bis([2,6-di(propan-2-yl)phenyl] phosphate);methanol;bis(1,10-phenanthroline).

Molecular Properties

Compound Namebis(cobalt(2+));bis([2,6-di(propan-2-yl)phenyl] phosphate);methanol;bis(1,10-phenanthroline)
PubChem CID139165761
Molecular FormulaC54H74Co2N4O14P2
Molecular Weight1183.01 g/mol
Exact Mass1182.33
IUPAC Namebis(cobalt(2+));bis([2,6-di(propan-2-yl)phenyl] phosphate);methanol;bis(1,10-phenanthroline)
SMILESCC(C)c1cccc(C(C)C)c1OP(=O)([O-])[O-].CC(C)c1cccc(C(C)C)c1OP(=O)([O-])[O-].CO.CO.CO.CO.CO.CO.[Co+2].[Co+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.2C12H19O4P.6CH4O.2Co/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-8(2)10-6-5-7-11(9(3)4)12(10)16-17(13,14)15;6*1-2;;/h2*1-8H;2*5-9H,1-4H3,(H2,13,14,15);6*2H,1H3;;/q;;;;;;;;;;2*+2/p-4
InChIKeyYVCIRHPGGFICKT-UHFFFAOYSA-J
XLogP7.49
TPSA317.78 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds8
Heavy Atoms76
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001183.01
LogP ≤ 57.49
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

Europium;hydroxy-oxo-[4-[7-(4-phosphonophenyl)-1,10-phenanthrolin-4-yl]phenoxy]phosphanium;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol
CID 58667430
Europium;hydroxy-[4-[7-[4-[hydroxy(oxo)phosphaniumyl]oxyphenyl]-1,10-phenanthrolin-4-yl]phenoxy]-oxophosphanium;4,4,4-trifluoro-1-naphthalen-2-ylbutane-1,3-diol
CID 60093701
Tetrakis(4-methylphenolate);bis(1,10-phenanthroline);bis(platinum(2+))
CID 139044461
Bis{mu~3~-(E)-2-[(2-oxidobenzylidene)amino]phenolato}bis{mu~2~-(E)-2-[(2-oxidobenzylidene)amino]phenolato}bis(1,10-phenanthroline)tetracobalt(II)
CID 139062343
{N'-[(2-Oxidonaphthalen-1-yl)methylidene]benzohydrazidato}(1,10-phenanthroline)copper(II) methanol monosolvate
CID 139082795
Tris[dimethyl (benzoylamido)phosphato-kappa^2^O,O'](1,10-phenanthroline-kappa^2^N,N')neodymium(III)
CID 139085305
Tricopper;bis([2,6-di(propan-2-yl)phenyl] phosphate);methanol;tris(2-pyridin-2-ylpyridine);diperchlorate
CID 139126290
Dicopper;bis((2,6-dimethylphenyl) phosphate);methanol;bis(1,10-phenanthroline)
CID 139126293
Copper;2,4-ditert-butyl-6-(pyridin-2-ylmethyliminomethyl)phenolate;pyrazino[2,3-f][1,10]phenanthroline;perchlorate
CID 139161216
Cobalt(2+);bis(2,4-ditert-butyl-6-(quinolin-8-yliminomethyl)phenolate)
CID 139163130
Bis(cobalt(2+));bis([2,6-di(propan-2-yl)phenyl] phosphate);methanol;bis(2-pyridin-2-ylpyridine)
CID 139165760
Manganese(2+);tris(1,10-phenanthroline);bis(26,27,28-trihydroxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaen-25-olate)
CID 139196571

Frequently Asked Questions

What is the IUPAC name of bis(cobalt(2+));bis([2,6-di(propan-2-yl)phenyl] phosphate);methanol;bis(1,10-phenanthroline)?
The IUPAC name of bis(cobalt(2+));bis([2,6-di(propan-2-yl)phenyl] phosphate);methanol;bis(1,10-phenanthroline) (CID 139165761) is bis(cobalt(2+));bis([2,6-di(propan-2-yl)phenyl] phosphate);methanol;bis(1,10-phenanthroline).
What is the SMILES notation for bis(cobalt(2+));bis([2,6-di(propan-2-yl)phenyl] phosphate);methanol;bis(1,10-phenanthroline)?
The canonical SMILES for bis(cobalt(2+));bis([2,6-di(propan-2-yl)phenyl] phosphate);methanol;bis(1,10-phenanthroline) is CC(C)c1cccc(C(C)C)c1OP(=O)([O-])[O-].CC(C)c1cccc(C(C)C)c1OP(=O)([O-])[O-].CO.CO.CO.CO.CO.CO.[Co+2].[Co+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of bis(cobalt(2+));bis([2,6-di(propan-2-yl)phenyl] phosphate);methanol;bis(1,10-phenanthroline)?
The InChIKey is YVCIRHPGGFICKT-UHFFFAOYSA-J. The full InChI is InChI=1S/2C12H8N2.2C12H19O4P.6CH4O.2Co/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;2*1-8(2)10-6-5-7-11(9(3)4)12(10)16-17(13,14)15;6*1-2;;/h2*1-8H;2*5-9H,1-4H3,(H2,13,14,15);6*2H,1H3;;/q;;;;;;;;;;2*+2/p-4.
What are the key properties of bis(cobalt(2+));bis([2,6-di(propan-2-yl)phenyl] phosphate);methanol;bis(1,10-phenanthroline)?
bis(cobalt(2+));bis([2,6-di(propan-2-yl)phenyl] phosphate);methanol;bis(1,10-phenanthroline) has a molecular weight of 1183.01 g/mol, XLogP of 7.49, 8 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cobalt(2+));bis([2,6-di(propan-2-yl)phenyl] phosphate);methanol;bis(1,10-phenanthroline) is sourced from PubChem (CID 139165761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).