dicopper;dichloromethane;tetrakis((4-fluorophenyl)sulfonyl-quinolin-8-ylazanide)

C61H42Cl2Cu2F4N8O8S4 — CID 139069791

IUPACdicopper;dichloromethane;tetrakis((4-fluorophenyl)sulfonyl-quinolin-8-ylazanide)
SMILESClCCl.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.[Cu+2].[Cu+2]
InChIInChI=1S/4C15H10FN2O2S.CH2Cl2.2Cu/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;2-1-3;;/h4*1-10H;1H2;;/q4*-1;;2*+2
InChIKeyOEIMKFBJWPJXQM-UHFFFAOYSA-N
MW1417.31 g/mol
LogP16.49
Rot. Bonds12

About dicopper;dichloromethane;tetrakis((4-fluorophenyl)sulfonyl-quinolin-8-ylazanide)

dicopper;dichloromethane;tetrakis((4-fluorophenyl)sulfonyl-quinolin-8-ylazanide) (PubChem CID 139069791) has the molecular formula C61H42Cl2Cu2F4N8O8S4 and a molecular weight of 1417.31 g/mol. Its IUPAC name is dicopper;dichloromethane;tetrakis((4-fluorophenyl)sulfonyl-quinolin-8-ylazanide).

Molecular Properties

Compound Namedicopper;dichloromethane;tetrakis((4-fluorophenyl)sulfonyl-quinolin-8-ylazanide)
PubChem CID139069791
Molecular FormulaC61H42Cl2Cu2F4N8O8S4
Molecular Weight1417.31 g/mol
Exact Mass1413.99
IUPAC Namedicopper;dichloromethane;tetrakis((4-fluorophenyl)sulfonyl-quinolin-8-ylazanide)
SMILESClCCl.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.[Cu+2].[Cu+2]
InChIInChI=1S/4C15H10FN2O2S.CH2Cl2.2Cu/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;2-1-3;;/h4*1-10H;1H2;;/q4*-1;;2*+2
InChIKeyOEIMKFBJWPJXQM-UHFFFAOYSA-N
XLogP16.49
TPSA244.52 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001417.31
LogP ≤ 516.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dicopper;dichloromethane;tetrakis((4-fluorophenyl)sulfonyl-quinolin-8-ylazanide)?
The IUPAC name of dicopper;dichloromethane;tetrakis((4-fluorophenyl)sulfonyl-quinolin-8-ylazanide) (CID 139069791) is dicopper;dichloromethane;tetrakis((4-fluorophenyl)sulfonyl-quinolin-8-ylazanide).
What is the SMILES notation for dicopper;dichloromethane;tetrakis((4-fluorophenyl)sulfonyl-quinolin-8-ylazanide)?
The canonical SMILES for dicopper;dichloromethane;tetrakis((4-fluorophenyl)sulfonyl-quinolin-8-ylazanide) is ClCCl.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.[Cu+2].[Cu+2].
What is the InChIKey of dicopper;dichloromethane;tetrakis((4-fluorophenyl)sulfonyl-quinolin-8-ylazanide)?
The InChIKey is OEIMKFBJWPJXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/4C15H10FN2O2S.CH2Cl2.2Cu/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;2-1-3;;/h4*1-10H;1H2;;/q4*-1;;2*+2.
What are the key properties of dicopper;dichloromethane;tetrakis((4-fluorophenyl)sulfonyl-quinolin-8-ylazanide)?
dicopper;dichloromethane;tetrakis((4-fluorophenyl)sulfonyl-quinolin-8-ylazanide) has a molecular weight of 1417.31 g/mol, XLogP of 16.49, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;dichloromethane;tetrakis((4-fluorophenyl)sulfonyl-quinolin-8-ylazanide) is sourced from PubChem (CID 139069791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).