bis(1,4-di(nonyl)naphthalene-2-sulfonate);lead(2+)

C56H86O6PbS2 — CID 101310054

IUPACbis(1,4-di(nonyl)naphthalene-2-sulfonate);lead(2+)
SMILESCCCCCCCCCc1cc(S(=O)(=O)[O-])c(CCCCCCCCC)c2ccccc12.CCCCCCCCCc1cc(S(=O)(=O)[O-])c(CCCCCCCCC)c2ccccc12.[Pb+2]
InChIInChI=1S/2C28H44O3S.Pb/c2*1-3-5-7-9-11-13-15-19-24-23-28(32(29,30)31)27(26-21-18-17-20-25(24)26)22-16-14-12-10-8-6-4-2;/h2*17-18,20-21,23H,3-16,19,22H2,1-2H3,(H,29,30,31);/q;;+2/p-2
InChIKeyYIDJFHZARWFHSS-UHFFFAOYSA-L
MW1126.63 g/mol
LogP16.28
Rot. Bonds34

About bis(1,4-di(nonyl)naphthalene-2-sulfonate);lead(2+)

bis(1,4-di(nonyl)naphthalene-2-sulfonate);lead(2+) (PubChem CID 101310054) has the molecular formula C56H86O6PbS2 and a molecular weight of 1126.63 g/mol. Its IUPAC name is bis(1,4-di(nonyl)naphthalene-2-sulfonate);lead(2+).

Molecular Properties

Compound Namebis(1,4-di(nonyl)naphthalene-2-sulfonate);lead(2+)
PubChem CID101310054
Molecular FormulaC56H86O6PbS2
Molecular Weight1126.63 g/mol
Exact Mass1126.56
IUPAC Namebis(1,4-di(nonyl)naphthalene-2-sulfonate);lead(2+)
SMILESCCCCCCCCCc1cc(S(=O)(=O)[O-])c(CCCCCCCCC)c2ccccc12.CCCCCCCCCc1cc(S(=O)(=O)[O-])c(CCCCCCCCC)c2ccccc12.[Pb+2]
InChIInChI=1S/2C28H44O3S.Pb/c2*1-3-5-7-9-11-13-15-19-24-23-28(32(29,30)31)27(26-21-18-17-20-25(24)26)22-16-14-12-10-8-6-4-2;/h2*17-18,20-21,23H,3-16,19,22H2,1-2H3,(H,29,30,31);/q;;+2/p-2
InChIKeyYIDJFHZARWFHSS-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

barium(2+);bis(3,4-dioctadecylnaphthalene-1-sulfonate)
CID 101319352
sodium 1,5-didecylnaphthalene-2-sulfonate
CID 101325101
potassium 1,5-di(tridecyl)naphthalene-2-sulfonate
CID 101324117
barium(2+);bis(1,5-dioctylnaphthalene-2-sulfonate)
CID 101319470
sodium 3,4-di(tridecyl)naphthalene-2-sulfonate
CID 101325168
barium(2+);bis(3,4-di(nonyl)naphthalene-2-sulfonate)
CID 15173919
potassium 2,4-di(tridecyl)naphthalene-1-sulfonate
CID 101322693
potassium 2,4-dihexylnaphthalene-1-sulfonate
CID 101322546
potassium 4-octylnaphthalene-1-sulfonate
CID 101317175
sodium 2,4-di(undecyl)naphthalene-1-sulfonate
CID 101324350
calcium bis(4-nonylnaphthalene-1-sulfonate)
CID 101317377
calcium bis(2,4-dihexylnaphthalene-1-sulfonate)
CID 101324535

Frequently Asked Questions

What is the IUPAC name of bis(1,4-di(nonyl)naphthalene-2-sulfonate);lead(2+)?
The IUPAC name of bis(1,4-di(nonyl)naphthalene-2-sulfonate);lead(2+) (CID 101310054) is bis(1,4-di(nonyl)naphthalene-2-sulfonate);lead(2+).
What is the SMILES notation for bis(1,4-di(nonyl)naphthalene-2-sulfonate);lead(2+)?
The canonical SMILES for bis(1,4-di(nonyl)naphthalene-2-sulfonate);lead(2+) is CCCCCCCCCc1cc(S(=O)(=O)[O-])c(CCCCCCCCC)c2ccccc12.CCCCCCCCCc1cc(S(=O)(=O)[O-])c(CCCCCCCCC)c2ccccc12.[Pb+2].
What is the InChIKey of bis(1,4-di(nonyl)naphthalene-2-sulfonate);lead(2+)?
The InChIKey is YIDJFHZARWFHSS-UHFFFAOYSA-L. The full InChI is InChI=1S/2C28H44O3S.Pb/c2*1-3-5-7-9-11-13-15-19-24-23-28(32(29,30)31)27(26-21-18-17-20-25(24)26)22-16-14-12-10-8-6-4-2;/h2*17-18,20-21,23H,3-16,19,22H2,1-2H3,(H,29,30,31);/q;;+2/p-2.
What are the key properties of bis(1,4-di(nonyl)naphthalene-2-sulfonate);lead(2+)?
bis(1,4-di(nonyl)naphthalene-2-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(1,4-di(nonyl)naphthalene-2-sulfonate);lead(2+) is sourced from PubChem (CID 101310054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).