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

C48H32Co2N8O7P2 — CID 76853347

IUPACbis(cobalt(2+));tetrakis(1,10-phenanthroline);phosphonato phosphate
SMILESO=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/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)/q;;;;2*+2;/p-4
InChIKeyBADCZWJBBYQIMA-UHFFFAOYSA-J
MW1012.65 g/mol
LogP7.79
Rot. Bonds2

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

bis(cobalt(2+));tetrakis(1,10-phenanthroline);phosphonato phosphate (PubChem CID 76853347) has the molecular formula C48H32Co2N8O7P2 and a molecular weight of 1012.65 g/mol. Its IUPAC name is bis(cobalt(2+));tetrakis(1,10-phenanthroline);phosphonato phosphate.

Molecular Properties

Compound Namebis(cobalt(2+));tetrakis(1,10-phenanthroline);phosphonato phosphate
PubChem CID76853347
Molecular FormulaC48H32Co2N8O7P2
Molecular Weight1012.65 g/mol
Exact Mass1012.05
IUPAC Namebis(cobalt(2+));tetrakis(1,10-phenanthroline);phosphonato phosphate
SMILESO=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/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)/q;;;;2*+2;/p-4
InChIKeyBADCZWJBBYQIMA-UHFFFAOYSA-J
XLogP7.79
TPSA238.73 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds2
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001012.65
LogP ≤ 57.79
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

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1,10-phenanthroline;samarium
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iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
dicopper;bis((2,6-dimethylphenyl) phosphate);methanol;bis(1,10-phenanthroline)
CID 139126293
lead(2+);bis(1,10-phenanthroline);dinitrate
CID 139206065
bis(cobalt(2+));hexakis(1,10-phenanthroline);tetratriiodide
CID 139068271
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CID 59270684

Frequently Asked Questions

What is the IUPAC name of bis(cobalt(2+));tetrakis(1,10-phenanthroline);phosphonato phosphate?
The IUPAC name of bis(cobalt(2+));tetrakis(1,10-phenanthroline);phosphonato phosphate (CID 76853347) is bis(cobalt(2+));tetrakis(1,10-phenanthroline);phosphonato phosphate.
What is the SMILES notation for bis(cobalt(2+));tetrakis(1,10-phenanthroline);phosphonato phosphate?
The canonical SMILES for bis(cobalt(2+));tetrakis(1,10-phenanthroline);phosphonato phosphate is 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?
The InChIKey is BADCZWJBBYQIMA-UHFFFAOYSA-J. The full InChI is InChI=1S/4C12H8N2.2Co.H4O7P2/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)/q;;;;2*+2;/p-4.
What are the key properties of bis(cobalt(2+));tetrakis(1,10-phenanthroline);phosphonato phosphate?
bis(cobalt(2+));tetrakis(1,10-phenanthroline);phosphonato phosphate has a molecular weight of 1012.65 g/mol, XLogP of 7.79, 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 is sourced from PubChem (CID 76853347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).