dizinc;hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline)

C48H40N4O12P4Zn2 — CID 139177278

IUPACdizinc;hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline)
SMILESO=P([O-])(O)c1ccccc1.O=P([O-])(O)c1ccccc1.O=P([O-])(O)c1ccccc1.O=P([O-])(O)c1ccccc1.[Zn+2].[Zn+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.4C6H7O3P.2Zn/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
InChIKeyXLMMXWFVWRUZJC-UHFFFAOYSA-J
MW1119.54 g/mol
LogP4.99
Rot. Bonds4

About dizinc;hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline)

dizinc;hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline) (PubChem CID 139177278) has the molecular formula C48H40N4O12P4Zn2 and a molecular weight of 1119.54 g/mol. Its IUPAC name is dizinc;hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline).

Molecular Properties

Compound Namedizinc;hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline)
PubChem CID139177278
Molecular FormulaC48H40N4O12P4Zn2
Molecular Weight1119.54 g/mol
Exact Mass1116.02
IUPAC Namedizinc;hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline)
SMILESO=P([O-])(O)c1ccccc1.O=P([O-])(O)c1ccccc1.O=P([O-])(O)c1ccccc1.O=P([O-])(O)c1ccccc1.[Zn+2].[Zn+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C12H8N2.4C6H7O3P.2Zn/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
InChIKeyXLMMXWFVWRUZJC-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 ≤ 5001119.54
LogP ≤ 54.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze dizinc;hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline) 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

Tris(bipyridine)ruthenium(II) chloride hexahydrate
CID 170850
tris(1,10-phenanthroline)cobalt(III) trichloride pentahydrate
CID 146012815
2,6-Dipyridin-2-ylpyridine;1,10-phenanthroline;ruthenium(2+)
CID 5289316
Bis(1,10-phenanthroline)platinum(II)
CID 162394466
Tris(1,10-phenanthroline)ruthenium(2+)
CID 9548754
Iron(2+)-tris(bathophenanthroline)
CID 11980088
Tris(4,7-diphenyl-1,10-phenanthroline)ruthenium(2+)
CID 11980300
ZINC;bis(1,10-phenanthroline);bis(trifluoromethanesulfonate)
CID 139048112
Oxidanium;ZINC;9-[6-[6-(6-acridin-9-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]acridine;1,10-phenanthroline;bis(trifluoromethanesulfonate)
CID 168333098
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

Frequently Asked Questions

What is the IUPAC name of dizinc;hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline)?
The IUPAC name of dizinc;hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline) (CID 139177278) is dizinc;hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline).
What is the SMILES notation for dizinc;hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline)?
The canonical SMILES for dizinc;hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline) is O=P([O-])(O)c1ccccc1.O=P([O-])(O)c1ccccc1.O=P([O-])(O)c1ccccc1.O=P([O-])(O)c1ccccc1.[Zn+2].[Zn+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of dizinc;hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline)?
The InChIKey is XLMMXWFVWRUZJC-UHFFFAOYSA-J. The full InChI is InChI=1S/2C12H8N2.4C6H7O3P.2Zn/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 dizinc;hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline)?
dizinc;hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline) has a molecular weight of 1119.54 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 dizinc;hydroxy(phenyl)phosphinate;bis(1,10-phenanthroline) is sourced from PubChem (CID 139177278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).