dicopper;dioxido-oxo-phenyl-λ5-phosphane;hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline);phenylphosphonic acid

C48H40Cu2N4O12P4 — CID 139177277

IUPACdicopper;dioxido-oxo-phenyl-λ5-phosphane;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.[Cu+2].[Cu+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.4C6H7O3P.2Cu/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;4*7-10(8,9)6-4-2-1-3-5-6;;/h2*1-8H;4*1-5H,(H2,7,8,9);;/q;;;;;;2*+2/p-4
InChIKeyVYRAMQKZCJTCTG-UHFFFAOYSA-J
MW1115.85 g/mol
LogP4.99
Rot. Bonds4

About dicopper;dioxido-oxo-phenyl-λ5-phosphane;hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline);phenylphosphonic acid

dicopper;dioxido-oxo-phenyl-λ5-phosphane;hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline);phenylphosphonic acid (PubChem CID 139177277) has the molecular formula C48H40Cu2N4O12P4 and a molecular weight of 1115.85 g/mol. Its IUPAC name is dicopper;dioxido-oxo-phenyl-λ5-phosphane;hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline);phenylphosphonic acid.

Molecular Properties

Compound Namedicopper;dioxido-oxo-phenyl-λ5-phosphane;hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline);phenylphosphonic acid
PubChem CID139177277
Molecular FormulaC48H40Cu2N4O12P4
Molecular Weight1115.85 g/mol
Exact Mass1114.02
IUPAC Namedicopper;dioxido-oxo-phenyl-λ5-phosphane;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.[Cu+2].[Cu+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.4C6H7O3P.2Cu/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;4*7-10(8,9)6-4-2-1-3-5-6;;/h2*1-8H;4*1-5H,(H2,7,8,9);;/q;;;;;;2*+2/p-4
InChIKeyVYRAMQKZCJTCTG-UHFFFAOYSA-J
XLogP4.99
TPSA293.00 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001115.85
LogP ≤ 54.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze dicopper;dioxido-oxo-phenyl-λ5-phosphane;hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline);phenylphosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,10-Phenanthroline ferrous perchlorate
CID 84537
Tris(bipyridine)ruthenium(II) chloride hexahydrate
CID 170850
tris(4,7-diphenyl-1,10-phenanthroline)-rhodium (III)
CID 11979749
Tris(4,7-diphenyl-1,10-phenanthroline)ruthenium (II)
CID 11979786
Cu(II)(phen-cyclam)
CID 467378
tris(1,10-phenanthroline)cobalt(III) trichloride pentahydrate
CID 146012815
Bis(1,10-phenanthroline)platinum(II)
CID 162394466
Tris(1,10-phenanthroline)ruthenium(2+)
CID 9548754
Tris(diphenylphenanthroline)cobalt(III)
CID 11979785
Iron(2+)-tris(bathophenanthroline)
CID 11980088
Tris(4,7-diphenyl-1,10-phenanthroline)ruthenium(2+)
CID 11980300
Bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium;1,10-phenanthroline
CID 176431482

Frequently Asked Questions

What is the IUPAC name of dicopper;dioxido-oxo-phenyl-λ5-phosphane;hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline);phenylphosphonic acid?
The IUPAC name of dicopper;dioxido-oxo-phenyl-λ5-phosphane;hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline);phenylphosphonic acid (CID 139177277) is dicopper;dioxido-oxo-phenyl-λ5-phosphane;hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline);phenylphosphonic acid.
What is the SMILES notation for dicopper;dioxido-oxo-phenyl-λ5-phosphane;hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline);phenylphosphonic acid?
The canonical SMILES for dicopper;dioxido-oxo-phenyl-λ5-phosphane;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.[Cu+2].[Cu+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of dicopper;dioxido-oxo-phenyl-λ5-phosphane;hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline);phenylphosphonic acid?
The InChIKey is VYRAMQKZCJTCTG-UHFFFAOYSA-J. The full InChI is InChI=1S/2C12H8N2.4C6H7O3P.2Cu/c2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;4*7-10(8,9)6-4-2-1-3-5-6;;/h2*1-8H;4*1-5H,(H2,7,8,9);;/q;;;;;;2*+2/p-4.
What are the key properties of dicopper;dioxido-oxo-phenyl-λ5-phosphane;hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline);phenylphosphonic acid?
dicopper;dioxido-oxo-phenyl-λ5-phosphane;hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline);phenylphosphonic acid has a molecular weight of 1115.85 g/mol, XLogP of 4.99, 4 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;dioxido-oxo-phenyl-λ5-phosphane;hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline);phenylphosphonic acid is sourced from PubChem (CID 139177277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).