phenyl-[3-[[3-(phenylmercuriooxysulfonyl)naphthalen-2-yl]methyl]naphthalen-2-yl]sulfonyloxymercury

C33H24Hg2O6S2 — CID 16683105

IUPACphenyl-[3-[[3-(phenylmercuriooxysulfonyl)naphthalen-2-yl]methyl]naphthalen-2-yl]sulfonyloxymercury
SMILESO=S(=O)(O[Hg]c1ccccc1)c1cc2ccccc2cc1Cc1cc2ccccc2cc1S(=O)(=O)O[Hg]c1ccccc1
InChIInChI=1S/C21H16O6S2.2C6H5.2Hg/c22-28(23,24)20-12-16-7-3-1-5-14(16)9-18(20)11-19-10-15-6-2-4-8-17(15)13-21(19)29(25,26)27;2*1-2-4-6-5-3-1;;/h1-10,12-13H,11H2,(H,22,23,24)(H,25,26,27);2*1-5H;;/q;;;2*+1/p-2
InChIKeyKDNVJBRRDKAHDA-UHFFFAOYSA-L
MW981.86 g/mol
LogP5.64
Rot. Bonds10

About phenyl-[3-[[3-(phenylmercuriooxysulfonyl)naphthalen-2-yl]methyl]naphthalen-2-yl]sulfonyloxymercury

phenyl-[3-[[3-(phenylmercuriooxysulfonyl)naphthalen-2-yl]methyl]naphthalen-2-yl]sulfonyloxymercury (PubChem CID 16683105) has the molecular formula C33H24Hg2O6S2 and a molecular weight of 981.86 g/mol. Its IUPAC name is phenyl-[3-[[3-(phenylmercuriooxysulfonyl)naphthalen-2-yl]methyl]naphthalen-2-yl]sulfonyloxymercury.

Molecular Properties

Compound Namephenyl-[3-[[3-(phenylmercuriooxysulfonyl)naphthalen-2-yl]methyl]naphthalen-2-yl]sulfonyloxymercury
PubChem CID16683105
Molecular FormulaC33H24Hg2O6S2
Molecular Weight981.86 g/mol
Exact Mass984.04
IUPAC Namephenyl-[3-[[3-(phenylmercuriooxysulfonyl)naphthalen-2-yl]methyl]naphthalen-2-yl]sulfonyloxymercury
SMILESO=S(=O)(O[Hg]c1ccccc1)c1cc2ccccc2cc1Cc1cc2ccccc2cc1S(=O)(=O)O[Hg]c1ccccc1
InChIInChI=1S/C21H16O6S2.2C6H5.2Hg/c22-28(23,24)20-12-16-7-3-1-5-14(16)9-18(20)11-19-10-15-6-2-4-8-17(15)13-21(19)29(25,26)27;2*1-2-4-6-5-3-1;;/h1-10,12-13H,11H2,(H,22,23,24)(H,25,26,27);2*1-5H;;/q;;;2*+1/p-2
InChIKeyKDNVJBRRDKAHDA-UHFFFAOYSA-L
XLogP5.64
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500981.86
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl-[3-[[3-(phenylmercuriooxysulfonyl)naphthalen-2-yl]methyl]naphthalen-2-yl]sulfonyloxymercury?
The IUPAC name of phenyl-[3-[[3-(phenylmercuriooxysulfonyl)naphthalen-2-yl]methyl]naphthalen-2-yl]sulfonyloxymercury (CID 16683105) is phenyl-[3-[[3-(phenylmercuriooxysulfonyl)naphthalen-2-yl]methyl]naphthalen-2-yl]sulfonyloxymercury.
What is the SMILES notation for phenyl-[3-[[3-(phenylmercuriooxysulfonyl)naphthalen-2-yl]methyl]naphthalen-2-yl]sulfonyloxymercury?
The canonical SMILES for phenyl-[3-[[3-(phenylmercuriooxysulfonyl)naphthalen-2-yl]methyl]naphthalen-2-yl]sulfonyloxymercury is O=S(=O)(O[Hg]c1ccccc1)c1cc2ccccc2cc1Cc1cc2ccccc2cc1S(=O)(=O)O[Hg]c1ccccc1.
What is the InChIKey of phenyl-[3-[[3-(phenylmercuriooxysulfonyl)naphthalen-2-yl]methyl]naphthalen-2-yl]sulfonyloxymercury?
The InChIKey is KDNVJBRRDKAHDA-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H16O6S2.2C6H5.2Hg/c22-28(23,24)20-12-16-7-3-1-5-14(16)9-18(20)11-19-10-15-6-2-4-8-17(15)13-21(19)29(25,26)27;2*1-2-4-6-5-3-1;;/h1-10,12-13H,11H2,(H,22,23,24)(H,25,26,27);2*1-5H;;/q;;;2*+1/p-2.
What are the key properties of phenyl-[3-[[3-(phenylmercuriooxysulfonyl)naphthalen-2-yl]methyl]naphthalen-2-yl]sulfonyloxymercury?
phenyl-[3-[[3-(phenylmercuriooxysulfonyl)naphthalen-2-yl]methyl]naphthalen-2-yl]sulfonyloxymercury has a molecular weight of 981.86 g/mol, XLogP of 5.64, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[3-[[3-(phenylmercuriooxysulfonyl)naphthalen-2-yl]methyl]naphthalen-2-yl]sulfonyloxymercury is sourced from PubChem (CID 16683105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).