dicopper;bis(dichloromethane);tetrakis(3,5-dihydroxybenzoate);(2S)-oxolan-2-ol;(2R)-oxolan-2-ol;tetrakis(pyridine)

C58H60Cl4Cu2N4O20 — CID 139041494

IUPACdicopper;bis(dichloromethane);tetrakis(3,5-dihydroxybenzoate);(2S)-oxolan-2-ol;(2R)-oxolan-2-ol;tetrakis(pyridine)
SMILESClCCl.ClCCl.O=C([O-])c1cc(O)cc(O)c1.O=C([O-])c1cc(O)cc(O)c1.O=C([O-])c1cc(O)cc(O)c1.O=C([O-])c1cc(O)cc(O)c1.O[C@@H]1CCCO1.O[C@H]1CCCO1.[Cu+2].[Cu+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/4C7H6O4.4C5H5N.2C4H8O2.2CH2Cl2.2Cu/c4*8-5-1-4(7(10)11)2-6(9)3-5;4*1-2-4-6-5-3-1;2*5-4-2-1-3-6-4;2*2-1-3;;/h4*1-3,8-9H,(H,10,11);4*1-5H;2*4-5H,1-3H2;2*1H2;;/q;;;;;;;;;;;;2*+2/p-4/t;;;;;;;;2*4-;;;;/m........10..../s1
InChIKeyPFJGNOJQYUKILL-GQHKNVIKSA-J
MW1402.03 g/mol
LogP5.24
Rot. Bonds4

About dicopper;bis(dichloromethane);tetrakis(3,5-dihydroxybenzoate);(2S)-oxolan-2-ol;(2R)-oxolan-2-ol;tetrakis(pyridine)

dicopper;bis(dichloromethane);tetrakis(3,5-dihydroxybenzoate);(2S)-oxolan-2-ol;(2R)-oxolan-2-ol;tetrakis(pyridine) (PubChem CID 139041494) has the molecular formula C58H60Cl4Cu2N4O20 and a molecular weight of 1402.03 g/mol. Its IUPAC name is dicopper;bis(dichloromethane);tetrakis(3,5-dihydroxybenzoate);(2S)-oxolan-2-ol;(2R)-oxolan-2-ol;tetrakis(pyridine).

Molecular Properties

Compound Namedicopper;bis(dichloromethane);tetrakis(3,5-dihydroxybenzoate);(2S)-oxolan-2-ol;(2R)-oxolan-2-ol;tetrakis(pyridine)
PubChem CID139041494
Molecular FormulaC58H60Cl4Cu2N4O20
Molecular Weight1402.03 g/mol
Exact Mass1398.11
IUPAC Namedicopper;bis(dichloromethane);tetrakis(3,5-dihydroxybenzoate);(2S)-oxolan-2-ol;(2R)-oxolan-2-ol;tetrakis(pyridine)
SMILESClCCl.ClCCl.O=C([O-])c1cc(O)cc(O)c1.O=C([O-])c1cc(O)cc(O)c1.O=C([O-])c1cc(O)cc(O)c1.O=C([O-])c1cc(O)cc(O)c1.O[C@@H]1CCCO1.O[C@H]1CCCO1.[Cu+2].[Cu+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/4C7H6O4.4C5H5N.2C4H8O2.2CH2Cl2.2Cu/c4*8-5-1-4(7(10)11)2-6(9)3-5;4*1-2-4-6-5-3-1;2*5-4-2-1-3-6-4;2*2-1-3;;/h4*1-3,8-9H,(H,10,11);4*1-5H;2*4-5H,1-3H2;2*1H2;;/q;;;;;;;;;;;;2*+2/p-4/t;;;;;;;;2*4-;;;;/m........10..../s1
InChIKeyPFJGNOJQYUKILL-GQHKNVIKSA-J
XLogP5.24
TPSA432.84 Ų
H-Bond Donors10
H-Bond Acceptors24
Rotatable Bonds4
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001402.03
LogP ≤ 55.24
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

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Related Compounds

3,5-Dihydroxybenzoic acid-4,4'-bipyridine (2/3)
CID 139056813

Frequently Asked Questions

What is the IUPAC name of dicopper;bis(dichloromethane);tetrakis(3,5-dihydroxybenzoate);(2S)-oxolan-2-ol;(2R)-oxolan-2-ol;tetrakis(pyridine)?
The IUPAC name of dicopper;bis(dichloromethane);tetrakis(3,5-dihydroxybenzoate);(2S)-oxolan-2-ol;(2R)-oxolan-2-ol;tetrakis(pyridine) (CID 139041494) is dicopper;bis(dichloromethane);tetrakis(3,5-dihydroxybenzoate);(2S)-oxolan-2-ol;(2R)-oxolan-2-ol;tetrakis(pyridine).
What is the SMILES notation for dicopper;bis(dichloromethane);tetrakis(3,5-dihydroxybenzoate);(2S)-oxolan-2-ol;(2R)-oxolan-2-ol;tetrakis(pyridine)?
The canonical SMILES for dicopper;bis(dichloromethane);tetrakis(3,5-dihydroxybenzoate);(2S)-oxolan-2-ol;(2R)-oxolan-2-ol;tetrakis(pyridine) is ClCCl.ClCCl.O=C([O-])c1cc(O)cc(O)c1.O=C([O-])c1cc(O)cc(O)c1.O=C([O-])c1cc(O)cc(O)c1.O=C([O-])c1cc(O)cc(O)c1.O[C@@H]1CCCO1.O[C@H]1CCCO1.[Cu+2].[Cu+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of dicopper;bis(dichloromethane);tetrakis(3,5-dihydroxybenzoate);(2S)-oxolan-2-ol;(2R)-oxolan-2-ol;tetrakis(pyridine)?
The InChIKey is PFJGNOJQYUKILL-GQHKNVIKSA-J. The full InChI is InChI=1S/4C7H6O4.4C5H5N.2C4H8O2.2CH2Cl2.2Cu/c4*8-5-1-4(7(10)11)2-6(9)3-5;4*1-2-4-6-5-3-1;2*5-4-2-1-3-6-4;2*2-1-3;;/h4*1-3,8-9H,(H,10,11);4*1-5H;2*4-5H,1-3H2;2*1H2;;/q;;;;;;;;;;;;2*+2/p-4/t;;;;;;;;2*4-;;;;/m........10..../s1.
What are the key properties of dicopper;bis(dichloromethane);tetrakis(3,5-dihydroxybenzoate);(2S)-oxolan-2-ol;(2R)-oxolan-2-ol;tetrakis(pyridine)?
dicopper;bis(dichloromethane);tetrakis(3,5-dihydroxybenzoate);(2S)-oxolan-2-ol;(2R)-oxolan-2-ol;tetrakis(pyridine) has a molecular weight of 1402.03 g/mol, XLogP of 5.24, 4 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;bis(dichloromethane);tetrakis(3,5-dihydroxybenzoate);(2S)-oxolan-2-ol;(2R)-oxolan-2-ol;tetrakis(pyridine) is sourced from PubChem (CID 139041494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).