bis(cadmium(2+));hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline);phenylphosphonic acid

C60H54Cd2N4O18P6 — CID 139177280

IUPACbis(cadmium(2+));hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline);phenylphosphonic acid
SMILESO=P(O)(O)c1ccccc1.O=P(O)(O)c1ccccc1.O=P([O-])(O)c1ccccc1.O=P([O-])(O)c1ccccc1.O=P([O-])(O)c1ccccc1.O=P([O-])(O)c1ccccc1.[Cd+2].[Cd+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.6C6H7O3P.2Cd/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;6*7-10(8,9)6-4-2-1-3-5-6;;/h2*1-8H;6*1-5H,(H2,7,8,9);;/q;;;;;;;;2*+2/p-4
InChIKeyKUMZQARZPRZPHE-UHFFFAOYSA-J
MW1529.77 g/mol
LogP5.97
Rot. Bonds6

About bis(cadmium(2+));hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline);phenylphosphonic acid

bis(cadmium(2+));hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline);phenylphosphonic acid (PubChem CID 139177280) has the molecular formula C60H54Cd2N4O18P6 and a molecular weight of 1529.77 g/mol. Its IUPAC name is bis(cadmium(2+));hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline);phenylphosphonic acid.

Molecular Properties

Compound Namebis(cadmium(2+));hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline);phenylphosphonic acid
PubChem CID139177280
Molecular FormulaC60H54Cd2N4O18P6
Molecular Weight1529.77 g/mol
Exact Mass1531.99
IUPAC Namebis(cadmium(2+));hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline);phenylphosphonic acid
SMILESO=P(O)(O)c1ccccc1.O=P(O)(O)c1ccccc1.O=P([O-])(O)c1ccccc1.O=P([O-])(O)c1ccccc1.O=P([O-])(O)c1ccccc1.O=P([O-])(O)c1ccccc1.[Cd+2].[Cd+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.6C6H7O3P.2Cd/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;6*7-10(8,9)6-4-2-1-3-5-6;;/h2*1-8H;6*1-5H,(H2,7,8,9);;/q;;;;;;;;2*+2/p-4
InChIKeyKUMZQARZPRZPHE-UHFFFAOYSA-J
XLogP5.97
TPSA408.06 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001529.77
LogP ≤ 55.97
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

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

Bis(1,10-phenanthroline)platinum(II)
CID 162394466
Tris(1,10-phenanthroline)ruthenium(2+)
CID 9548754
Tris(4,7-diphenyl-1,10-phenanthroline)ruthenium(2+)
CID 11980300
Bis(cerium(3+));hexakis(1,1,1,3,3,3-hexafluoropropan-2-olate);bis(1,10-phenanthroline)
CID 139167985
Cobalt(3+);tris(1,10-phenanthroline);perchlorate
CID 176468466
Copper;1,10-phenanthroline;bis(triphenylphosphanium)
CID 59698455
Dichlorotris(1,10-phenanthroline)ruthenium(II) hydrate
CID 59869622
4,7-Di(9H-carbazol-9-yl)-1,10-phenanthroline
CID 71721473
Iron(2+), tris(4,7-diphenyl-1,10-phenanthroline-kappaN1,kappaN10)-, (OC-6-11)-, perchlorate (1:2)
CID 11979706
Iron(2+);bis(1,10-phenanthroline);dicyanide
CID 117059127
Tris(1,10-phenanthroline)ruthenium dichloride
CID 138375736
Tris(4,10-phenanthroline)rhodium(III), trichloride
CID 24202029

Frequently Asked Questions

What is the IUPAC name of bis(cadmium(2+));hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline);phenylphosphonic acid?
The IUPAC name of bis(cadmium(2+));hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline);phenylphosphonic acid (CID 139177280) is bis(cadmium(2+));hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline);phenylphosphonic acid.
What is the SMILES notation for bis(cadmium(2+));hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline);phenylphosphonic acid?
The canonical SMILES for bis(cadmium(2+));hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline);phenylphosphonic acid is O=P(O)(O)c1ccccc1.O=P(O)(O)c1ccccc1.O=P([O-])(O)c1ccccc1.O=P([O-])(O)c1ccccc1.O=P([O-])(O)c1ccccc1.O=P([O-])(O)c1ccccc1.[Cd+2].[Cd+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of bis(cadmium(2+));hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline);phenylphosphonic acid?
The InChIKey is KUMZQARZPRZPHE-UHFFFAOYSA-J. The full InChI is InChI=1S/2C12H8N2.6C6H7O3P.2Cd/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;6*7-10(8,9)6-4-2-1-3-5-6;;/h2*1-8H;6*1-5H,(H2,7,8,9);;/q;;;;;;;;2*+2/p-4.
What are the key properties of bis(cadmium(2+));hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline);phenylphosphonic acid?
bis(cadmium(2+));hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline);phenylphosphonic acid has a molecular weight of 1529.77 g/mol, XLogP of 5.97, 6 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(cadmium(2+));hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline);phenylphosphonic acid is sourced from PubChem (CID 139177280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).