bis(3,5-di(nonyl)naphthalene-1-sulfonate);lead(2+)

C56H86O6PbS2 — CID 101310039

IUPACbis(3,5-di(nonyl)naphthalene-1-sulfonate);lead(2+)
SMILESCCCCCCCCCc1cc(S(=O)(=O)[O-])c2cccc(CCCCCCCCC)c2c1.CCCCCCCCCc1cc(S(=O)(=O)[O-])c2cccc(CCCCCCCCC)c2c1.[Pb+2]
InChIInChI=1S/2C28H44O3S.Pb/c2*1-3-5-7-9-11-13-15-18-24-22-27-25(19-16-14-12-10-8-6-4-2)20-17-21-26(27)28(23-24)32(29,30)31;/h2*17,20-23H,3-16,18-19H2,1-2H3,(H,29,30,31);/q;;+2/p-2
InChIKeyVAQHBDFVMFUPRH-UHFFFAOYSA-L
MW1126.63 g/mol
LogP16.28
Rot. Bonds34

About bis(3,5-di(nonyl)naphthalene-1-sulfonate);lead(2+)

bis(3,5-di(nonyl)naphthalene-1-sulfonate);lead(2+) (PubChem CID 101310039) has the molecular formula C56H86O6PbS2 and a molecular weight of 1126.63 g/mol. Its IUPAC name is bis(3,5-di(nonyl)naphthalene-1-sulfonate);lead(2+).

Molecular Properties

Compound Namebis(3,5-di(nonyl)naphthalene-1-sulfonate);lead(2+)
PubChem CID101310039
Molecular FormulaC56H86O6PbS2
Molecular Weight1126.63 g/mol
Exact Mass1126.56
IUPAC Namebis(3,5-di(nonyl)naphthalene-1-sulfonate);lead(2+)
SMILESCCCCCCCCCc1cc(S(=O)(=O)[O-])c2cccc(CCCCCCCCC)c2c1.CCCCCCCCCc1cc(S(=O)(=O)[O-])c2cccc(CCCCCCCCC)c2c1.[Pb+2]
InChIInChI=1S/2C28H44O3S.Pb/c2*1-3-5-7-9-11-13-15-18-24-22-27-25(19-16-14-12-10-8-6-4-2)20-17-21-26(27)28(23-24)32(29,30)31;/h2*17,20-23H,3-16,18-19H2,1-2H3,(H,29,30,31);/q;;+2/p-2
InChIKeyVAQHBDFVMFUPRH-UHFFFAOYSA-L
XLogP16.28
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds34
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001126.63
LogP ≤ 516.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

potassium 5-nonylnaphthalene-1-sulfonate
CID 101317189
calcium bis(5,7-dioctylnaphthalene-1-sulfonate)
CID 101324591
potassium 5,7-di(nonyl)naphthalene-1-sulfonate
CID 101322624
barium(2+);bis(4,6-di(tetradecyl)naphthalene-1-sulfonate)
CID 101319200
calcium bis(3-decylnaphthalene-1-sulfonate)
CID 101317390
potassium 3,8-di(tridecyl)naphthalene-1-sulfonate
CID 101322702
barium(2+);bis(3,8-di(heptadecyl)naphthalene-1-sulfonate)
CID 101319319
calcium bis(3,8-dihexylnaphthalene-1-sulfonate)
CID 101324544
sodium 4,8-dihexylnaphthalene-1-sulfonate
CID 23677798
barium(2+);bis(3,8-diheptylnaphthalene-2-sulfonate)
CID 101319444
sodium 4-tridecylnaphthalene-1-sulfonate
CID 101317059
calcium bis(4-nonylnaphthalene-1-sulfonate)
CID 101317377

Frequently Asked Questions

What is the IUPAC name of bis(3,5-di(nonyl)naphthalene-1-sulfonate);lead(2+)?
The IUPAC name of bis(3,5-di(nonyl)naphthalene-1-sulfonate);lead(2+) (CID 101310039) is bis(3,5-di(nonyl)naphthalene-1-sulfonate);lead(2+).
What is the SMILES notation for bis(3,5-di(nonyl)naphthalene-1-sulfonate);lead(2+)?
The canonical SMILES for bis(3,5-di(nonyl)naphthalene-1-sulfonate);lead(2+) is CCCCCCCCCc1cc(S(=O)(=O)[O-])c2cccc(CCCCCCCCC)c2c1.CCCCCCCCCc1cc(S(=O)(=O)[O-])c2cccc(CCCCCCCCC)c2c1.[Pb+2].
What is the InChIKey of bis(3,5-di(nonyl)naphthalene-1-sulfonate);lead(2+)?
The InChIKey is VAQHBDFVMFUPRH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C28H44O3S.Pb/c2*1-3-5-7-9-11-13-15-18-24-22-27-25(19-16-14-12-10-8-6-4-2)20-17-21-26(27)28(23-24)32(29,30)31;/h2*17,20-23H,3-16,18-19H2,1-2H3,(H,29,30,31);/q;;+2/p-2.
What are the key properties of bis(3,5-di(nonyl)naphthalene-1-sulfonate);lead(2+)?
bis(3,5-di(nonyl)naphthalene-1-sulfonate);lead(2+) has a molecular weight of 1126.63 g/mol, XLogP of 16.28, 34 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-di(nonyl)naphthalene-1-sulfonate);lead(2+) is sourced from PubChem (CID 101310039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).