mercury;8-phenylquinoline;hydrate

C15H13HgNO — CID 174770535

IUPACmercury;8-phenylquinoline;hydrate
SMILESO.[Hg].c1ccc(-c2cccc3cccnc23)cc1
InChIInChI=1S/C15H11N.Hg.H2O/c1-2-6-12(7-3-1)14-10-4-8-13-9-5-11-16-15(13)14;;/h1-11H;;1H2
InChIKeyNMZRTQGKECKINM-UHFFFAOYSA-N
MW423.87 g/mol
LogP3.07
Rot. Bonds1

About mercury;8-phenylquinoline;hydrate

mercury;8-phenylquinoline;hydrate (PubChem CID 174770535) has the molecular formula C15H13HgNO and a molecular weight of 423.87 g/mol. Its IUPAC name is mercury;8-phenylquinoline;hydrate.

Molecular Properties

Compound Namemercury;8-phenylquinoline;hydrate
PubChem CID174770535
Molecular FormulaC15H13HgNO
Molecular Weight423.87 g/mol
Exact Mass425.07
IUPAC Namemercury;8-phenylquinoline;hydrate
SMILESO.[Hg].c1ccc(-c2cccc3cccnc23)cc1
InChIInChI=1S/C15H11N.Hg.H2O/c1-2-6-12(7-3-1)14-10-4-8-13-9-5-11-16-15(13)14;;/h1-11H;;1H2
InChIKeyNMZRTQGKECKINM-UHFFFAOYSA-N
XLogP3.07
TPSA44.39 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.87
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]quinoline
CID 58462299
8-(3-quinolin-8-ylphenyl)quinoline
CID 90955641
8-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402277
N,N-diphenyl-4-quinolin-8-ylaniline
CID 122210729
8-[4-[4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402321
8-(12,16-diphenyl-18-quinolin-8-yl-10-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)quinoline
CID 144854633
8-[4-[2-methyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]quinoline
CID 155603380
8-pyridin-2-ylquinoline
CID 10982041
aluminum;2,6-diphenylphenolate;bis(quinolin-8-olate)
CID 69091139
8-phenylquinoline;2-pyridin-2-ylquinoline
CID 143968866
8-[4-[4-(4-fluoranthen-3-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]quinoline
CID 130263319
8-[3-[10-[3-(2,4,6-triphenylphenyl)phenyl]anthracen-9-yl]phenyl]quinoline
CID 139394581

Frequently Asked Questions

What is the IUPAC name of mercury;8-phenylquinoline;hydrate?
The IUPAC name of mercury;8-phenylquinoline;hydrate (CID 174770535) is mercury;8-phenylquinoline;hydrate.
What is the SMILES notation for mercury;8-phenylquinoline;hydrate?
The canonical SMILES for mercury;8-phenylquinoline;hydrate is O.[Hg].c1ccc(-c2cccc3cccnc23)cc1.
What is the InChIKey of mercury;8-phenylquinoline;hydrate?
The InChIKey is NMZRTQGKECKINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N.Hg.H2O/c1-2-6-12(7-3-1)14-10-4-8-13-9-5-11-16-15(13)14;;/h1-11H;;1H2.
What are the key properties of mercury;8-phenylquinoline;hydrate?
mercury;8-phenylquinoline;hydrate has a molecular weight of 423.87 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for mercury;8-phenylquinoline;hydrate is sourced from PubChem (CID 174770535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).