dizinc;tetrakis((4-fluorophenyl)sulfonyl-quinolin-8-ylazanide);hydrate

C60H42F4N8O9S4Zn2 — CID 139069775

IUPACdizinc;tetrakis((4-fluorophenyl)sulfonyl-quinolin-8-ylazanide);hydrate
SMILESO.O=S(=O)([N-]c1cccc2cccnc12)c1ccc(F)cc1.O=S(=O)([N-]c1cccc2cccnc12)c1ccc(F)cc1.O=S(=O)([N-]c1cccc2cccnc12)c1ccc(F)cc1.O=S(=O)([N-]c1cccc2cccnc12)c1ccc(F)cc1.[Zn+2].[Zn+2]
InChIInChI=1S/4C15H10FN2O2S.H2O.2Zn/c4*16-12-6-8-13(9-7-12)21(19,20)18-14-5-1-3-11-4-2-10-17-15(11)14;;;/h4*1-10H;1H2;;/q4*-1;;2*+2
InChIKeyIPYZUTRAUVECLA-UHFFFAOYSA-N
MW1354.08 g/mol
LogP14.24
Rot. Bonds12

About dizinc;tetrakis((4-fluorophenyl)sulfonyl-quinolin-8-ylazanide);hydrate

dizinc;tetrakis((4-fluorophenyl)sulfonyl-quinolin-8-ylazanide);hydrate (PubChem CID 139069775) has the molecular formula C60H42F4N8O9S4Zn2 and a molecular weight of 1354.08 g/mol. Its IUPAC name is dizinc;tetrakis((4-fluorophenyl)sulfonyl-quinolin-8-ylazanide);hydrate.

Molecular Properties

Compound Namedizinc;tetrakis((4-fluorophenyl)sulfonyl-quinolin-8-ylazanide);hydrate
PubChem CID139069775
Molecular FormulaC60H42F4N8O9S4Zn2
Molecular Weight1354.08 g/mol
Exact Mass1350.05
IUPAC Namedizinc;tetrakis((4-fluorophenyl)sulfonyl-quinolin-8-ylazanide);hydrate
SMILESO.O=S(=O)([N-]c1cccc2cccnc12)c1ccc(F)cc1.O=S(=O)([N-]c1cccc2cccnc12)c1ccc(F)cc1.O=S(=O)([N-]c1cccc2cccnc12)c1ccc(F)cc1.O=S(=O)([N-]c1cccc2cccnc12)c1ccc(F)cc1.[Zn+2].[Zn+2]
InChIInChI=1S/4C15H10FN2O2S.H2O.2Zn/c4*16-12-6-8-13(9-7-12)21(19,20)18-14-5-1-3-11-4-2-10-17-15(11)14;;;/h4*1-10H;1H2;;/q4*-1;;2*+2
InChIKeyIPYZUTRAUVECLA-UHFFFAOYSA-N
XLogP14.24
TPSA276.02 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001354.08
LogP ≤ 514.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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 dizinc;tetrakis((4-fluorophenyl)sulfonyl-quinolin-8-ylazanide);hydrate?
The IUPAC name of dizinc;tetrakis((4-fluorophenyl)sulfonyl-quinolin-8-ylazanide);hydrate (CID 139069775) is dizinc;tetrakis((4-fluorophenyl)sulfonyl-quinolin-8-ylazanide);hydrate.
What is the SMILES notation for dizinc;tetrakis((4-fluorophenyl)sulfonyl-quinolin-8-ylazanide);hydrate?
The canonical SMILES for dizinc;tetrakis((4-fluorophenyl)sulfonyl-quinolin-8-ylazanide);hydrate is O.O=S(=O)([N-]c1cccc2cccnc12)c1ccc(F)cc1.O=S(=O)([N-]c1cccc2cccnc12)c1ccc(F)cc1.O=S(=O)([N-]c1cccc2cccnc12)c1ccc(F)cc1.O=S(=O)([N-]c1cccc2cccnc12)c1ccc(F)cc1.[Zn+2].[Zn+2].
What is the InChIKey of dizinc;tetrakis((4-fluorophenyl)sulfonyl-quinolin-8-ylazanide);hydrate?
The InChIKey is IPYZUTRAUVECLA-UHFFFAOYSA-N. The full InChI is InChI=1S/4C15H10FN2O2S.H2O.2Zn/c4*16-12-6-8-13(9-7-12)21(19,20)18-14-5-1-3-11-4-2-10-17-15(11)14;;;/h4*1-10H;1H2;;/q4*-1;;2*+2.
What are the key properties of dizinc;tetrakis((4-fluorophenyl)sulfonyl-quinolin-8-ylazanide);hydrate?
dizinc;tetrakis((4-fluorophenyl)sulfonyl-quinolin-8-ylazanide);hydrate has a molecular weight of 1354.08 g/mol, XLogP of 14.24, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;tetrakis((4-fluorophenyl)sulfonyl-quinolin-8-ylazanide);hydrate is sourced from PubChem (CID 139069775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).