bis(cobalt(2+));tetrakis(1,10-phenanthroline);phosphonato phosphate;hexadecahydrate

C48H64Co2N8O23P2 — CID 139132266

IUPACbis(cobalt(2+));tetrakis(1,10-phenanthroline);phosphonato phosphate;hexadecahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O=P([O-])([O-])OP(=O)([O-])[O-].[Co+2].[Co+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/4C12H8N2.2Co.H4O7P2.16H2O/c4*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;1-8(2,3)7-9(4,5)6;;;;;;;;;;;;;;;;/h4*1-8H;;;(H2,1,2,3)(H2,4,5,6);16*1H2/q;;;;2*+2;;;;;;;;;;;;;;;;;/p-4
InChIKeyXTUCVQWFPCQXOX-UHFFFAOYSA-J
MW1300.89 g/mol
LogP-5.41
Rot. Bonds2

About bis(cobalt(2+));tetrakis(1,10-phenanthroline);phosphonato phosphate;hexadecahydrate

bis(cobalt(2+));tetrakis(1,10-phenanthroline);phosphonato phosphate;hexadecahydrate (PubChem CID 139132266) has the molecular formula C48H64Co2N8O23P2 and a molecular weight of 1300.89 g/mol. Its IUPAC name is bis(cobalt(2+));tetrakis(1,10-phenanthroline);phosphonato phosphate;hexadecahydrate.

Molecular Properties

Compound Namebis(cobalt(2+));tetrakis(1,10-phenanthroline);phosphonato phosphate;hexadecahydrate
PubChem CID139132266
Molecular FormulaC48H64Co2N8O23P2
Molecular Weight1300.89 g/mol
Exact Mass1300.22
IUPAC Namebis(cobalt(2+));tetrakis(1,10-phenanthroline);phosphonato phosphate;hexadecahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O=P([O-])([O-])OP(=O)([O-])[O-].[Co+2].[Co+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/4C12H8N2.2Co.H4O7P2.16H2O/c4*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;1-8(2,3)7-9(4,5)6;;;;;;;;;;;;;;;;/h4*1-8H;;;(H2,1,2,3)(H2,4,5,6);16*1H2/q;;;;2*+2;;;;;;;;;;;;;;;;;/p-4
InChIKeyXTUCVQWFPCQXOX-UHFFFAOYSA-J
XLogP-5.41
TPSA742.73 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds2
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001300.89
LogP ≤ 5-5.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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

Delta-[ru(Bpy)2dppz]2+
CID 57336495
Bis(1,10-phenanthroline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium
CID 57339425
Ru(II)(phen)2(phen-cyclam-Ni(II)
CID 16683885
Ru(II)(phen)2(phen-cyclam-Cu(II)
CID 16683886
Ru(II)(phen)2(phen-cyclam-Fe(III))
CID 16683887
Ru(II)(phen)2(phen-cyclam-Co(III)-Cl2)
CID 16683888
2,6-Dipyridin-2-ylpyridine;1,10-phenanthroline;ruthenium(2+)
CID 5289316
Bis(pyrazino[2,3-f]quinoxaline);quinoxalino[2,3-f][1,10]phenanthroline;ruthenium(2+)
CID 57261388
(Mu-11,11'-Bidipyrido[3,2-A:2',3'-C]phenazine-1kappa~2~n~4~,N~5~:2kappa~2~n~4'~,N~5'~)[tetrakis(1,10-Phenanthroline-Kappa~2~n~1~,N~10~)]diruthenium
CID 73010381
Tetrakis(2,2'-Bipyridine-Kappa~2~n~1~,N~1'~)(Mu-Tetrapyrido[3,2-A:2',3'-C:3'',2''-H:2''',3'''-J]phenazine-1kappa~2~n~4~,N~5~:2kappa~2~n~13~,N~14~)diruthenium(4+) L Enantiomer
CID 71737795
Tris(1,10-phenanthroline)ruthenium(2+)
CID 9548754
Tris(4,7-diphenyl-1,10-phenanthroline)ruthenium(2+)
CID 11980300

Frequently Asked Questions

What is the IUPAC name of bis(cobalt(2+));tetrakis(1,10-phenanthroline);phosphonato phosphate;hexadecahydrate?
The IUPAC name of bis(cobalt(2+));tetrakis(1,10-phenanthroline);phosphonato phosphate;hexadecahydrate (CID 139132266) is bis(cobalt(2+));tetrakis(1,10-phenanthroline);phosphonato phosphate;hexadecahydrate.
What is the SMILES notation for bis(cobalt(2+));tetrakis(1,10-phenanthroline);phosphonato phosphate;hexadecahydrate?
The canonical SMILES for bis(cobalt(2+));tetrakis(1,10-phenanthroline);phosphonato phosphate;hexadecahydrate is O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O=P([O-])([O-])OP(=O)([O-])[O-].[Co+2].[Co+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of bis(cobalt(2+));tetrakis(1,10-phenanthroline);phosphonato phosphate;hexadecahydrate?
The InChIKey is XTUCVQWFPCQXOX-UHFFFAOYSA-J. The full InChI is InChI=1S/4C12H8N2.2Co.H4O7P2.16H2O/c4*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;;;1-8(2,3)7-9(4,5)6;;;;;;;;;;;;;;;;/h4*1-8H;;;(H2,1,2,3)(H2,4,5,6);16*1H2/q;;;;2*+2;;;;;;;;;;;;;;;;;/p-4.
What are the key properties of bis(cobalt(2+));tetrakis(1,10-phenanthroline);phosphonato phosphate;hexadecahydrate?
bis(cobalt(2+));tetrakis(1,10-phenanthroline);phosphonato phosphate;hexadecahydrate has a molecular weight of 1300.89 g/mol, XLogP of -5.41, 2 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cobalt(2+));tetrakis(1,10-phenanthroline);phosphonato phosphate;hexadecahydrate is sourced from PubChem (CID 139132266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).