benzene-1,2-diolate;1,10-phenanthroline;platinum(2+)

C18H12N2O2Pt — CID 158482214

IUPACbenzene-1,2-diolate;1,10-phenanthroline;platinum(2+)
SMILES[O-]c1ccccc1[O-].[Pt+2].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.C6H6O2.Pt/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;7-5-3-1-2-4-6(5)8;/h1-8H;1-4,7-8H;/q;;+2/p-2
InChIKeyHHQROXDZEVAAIR-UHFFFAOYSA-L
MW483.38 g/mol
LogP2.61
Rot. Bonds

About benzene-1,2-diolate;1,10-phenanthroline;platinum(2+)

benzene-1,2-diolate;1,10-phenanthroline;platinum(2+) (PubChem CID 158482214) has the molecular formula C18H12N2O2Pt and a molecular weight of 483.38 g/mol. Its IUPAC name is benzene-1,2-diolate;1,10-phenanthroline;platinum(2+).

Molecular Properties

Compound Namebenzene-1,2-diolate;1,10-phenanthroline;platinum(2+)
PubChem CID158482214
Molecular FormulaC18H12N2O2Pt
Molecular Weight483.38 g/mol
Exact Mass483.05
IUPAC Namebenzene-1,2-diolate;1,10-phenanthroline;platinum(2+)
SMILES[O-]c1ccccc1[O-].[Pt+2].c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C12H8N2.C6H6O2.Pt/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;7-5-3-1-2-4-6(5)8;/h1-8H;1-4,7-8H;/q;;+2/p-2
InChIKeyHHQROXDZEVAAIR-UHFFFAOYSA-L
XLogP2.61
TPSA71.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.38
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene-1,2-diolate;1,10-phenanthroline;platinum(2+)?
The IUPAC name of benzene-1,2-diolate;1,10-phenanthroline;platinum(2+) (CID 158482214) is benzene-1,2-diolate;1,10-phenanthroline;platinum(2+).
What is the SMILES notation for benzene-1,2-diolate;1,10-phenanthroline;platinum(2+)?
The canonical SMILES for benzene-1,2-diolate;1,10-phenanthroline;platinum(2+) is [O-]c1ccccc1[O-].[Pt+2].c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of benzene-1,2-diolate;1,10-phenanthroline;platinum(2+)?
The InChIKey is HHQROXDZEVAAIR-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H8N2.C6H6O2.Pt/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;7-5-3-1-2-4-6(5)8;/h1-8H;1-4,7-8H;/q;;+2/p-2.
What are the key properties of benzene-1,2-diolate;1,10-phenanthroline;platinum(2+)?
benzene-1,2-diolate;1,10-phenanthroline;platinum(2+) has a molecular weight of 483.38 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-diolate;1,10-phenanthroline;platinum(2+) is sourced from PubChem (CID 158482214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).