hexacopper;bis((N2Z,N6Z,2Z,6Z)-2-N,6-N-bis[oxido-(2-oxidophenyl)methylidene]pyridine-2,6-dicarbohydrazonate);tetrakis(pyridine)

C62H42Cu6N14O12 — CID 139204383

IUPAChexacopper;bis((N2Z,N6Z,2Z,6Z)-2-N,6-N-bis[oxido-(2-oxidophenyl)methylidene]pyridine-2,6-dicarbohydrazonate);tetrakis(pyridine)
SMILES[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[O-]/C(=N\N=C(/[O-])c1ccccc1[O-])c1cccc(/C([O-])=N/N=C(/[O-])c2ccccc2[O-])n1.[O-]/C(=N\N=C(/[O-])c1ccccc1[O-])c1cccc(/C([O-])=N/N=C(/[O-])c2ccccc2[O-])n1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C21H17N5O6.4C5H5N.6Cu/c2*27-16-10-3-1-6-12(16)18(29)23-25-20(31)14-8-5-9-15(22-14)21(32)26-24-19(30)13-7-2-4-11-17(13)28;4*1-2-4-6-5-3-1;;;;;;/h2*1-11,27-28H,(H,23,29)(H,24,30)(H,25,31)(H,26,32);4*1-5H;;;;;;/q;;;;;;6*+2/p-12
InChIKeyRXRWPQCKTFQMOY-UHFFFAOYSA-B
MW1556.38 g/mol
LogP-1.91
Rot. Bonds12

About hexacopper;bis((N2Z,N6Z,2Z,6Z)-2-N,6-N-bis[oxido-(2-oxidophenyl)methylidene]pyridine-2,6-dicarbohydrazonate);tetrakis(pyridine)

hexacopper;bis((N2Z,N6Z,2Z,6Z)-2-N,6-N-bis[oxido-(2-oxidophenyl)methylidene]pyridine-2,6-dicarbohydrazonate);tetrakis(pyridine) (PubChem CID 139204383) has the molecular formula C62H42Cu6N14O12 and a molecular weight of 1556.38 g/mol. Its IUPAC name is hexacopper;bis((N2Z,N6Z,2Z,6Z)-2-N,6-N-bis[oxido-(2-oxidophenyl)methylidene]pyridine-2,6-dicarbohydrazonate);tetrakis(pyridine).

Molecular Properties

Compound Namehexacopper;bis((N2Z,N6Z,2Z,6Z)-2-N,6-N-bis[oxido-(2-oxidophenyl)methylidene]pyridine-2,6-dicarbohydrazonate);tetrakis(pyridine)
PubChem CID139204383
Molecular FormulaC62H42Cu6N14O12
Molecular Weight1556.38 g/mol
Exact Mass1551.89
IUPAC Namehexacopper;bis((N2Z,N6Z,2Z,6Z)-2-N,6-N-bis[oxido-(2-oxidophenyl)methylidene]pyridine-2,6-dicarbohydrazonate);tetrakis(pyridine)
SMILES[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[O-]/C(=N\N=C(/[O-])c1ccccc1[O-])c1cccc(/C([O-])=N/N=C(/[O-])c2ccccc2[O-])n1.[O-]/C(=N\N=C(/[O-])c1ccccc1[O-])c1cccc(/C([O-])=N/N=C(/[O-])c2ccccc2[O-])n1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C21H17N5O6.4C5H5N.6Cu/c2*27-16-10-3-1-6-12(16)18(29)23-25-20(31)14-8-5-9-15(22-14)21(32)26-24-19(30)13-7-2-4-11-17(13)28;4*1-2-4-6-5-3-1;;;;;;/h2*1-11,27-28H,(H,23,29)(H,24,30)(H,25,31)(H,26,32);4*1-5H;;;;;;/q;;;;;;6*+2/p-12
InChIKeyRXRWPQCKTFQMOY-UHFFFAOYSA-B
XLogP-1.91
TPSA452.94 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds12
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001556.38
LogP ≤ 5-1.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze hexacopper;bis((N2Z,N6Z,2Z,6Z)-2-N,6-N-bis[oxido-(2-oxidophenyl)methylidene]pyridine-2,6-dicarbohydrazonate);tetrakis(pyridine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of hexacopper;bis((N2Z,N6Z,2Z,6Z)-2-N,6-N-bis[oxido-(2-oxidophenyl)methylidene]pyridine-2,6-dicarbohydrazonate);tetrakis(pyridine)?
The IUPAC name of hexacopper;bis((N2Z,N6Z,2Z,6Z)-2-N,6-N-bis[oxido-(2-oxidophenyl)methylidene]pyridine-2,6-dicarbohydrazonate);tetrakis(pyridine) (CID 139204383) is hexacopper;bis((N2Z,N6Z,2Z,6Z)-2-N,6-N-bis[oxido-(2-oxidophenyl)methylidene]pyridine-2,6-dicarbohydrazonate);tetrakis(pyridine).
What is the SMILES notation for hexacopper;bis((N2Z,N6Z,2Z,6Z)-2-N,6-N-bis[oxido-(2-oxidophenyl)methylidene]pyridine-2,6-dicarbohydrazonate);tetrakis(pyridine)?
The canonical SMILES for hexacopper;bis((N2Z,N6Z,2Z,6Z)-2-N,6-N-bis[oxido-(2-oxidophenyl)methylidene]pyridine-2,6-dicarbohydrazonate);tetrakis(pyridine) is [Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[Cu+2].[O-]/C(=N\N=C(/[O-])c1ccccc1[O-])c1cccc(/C([O-])=N/N=C(/[O-])c2ccccc2[O-])n1.[O-]/C(=N\N=C(/[O-])c1ccccc1[O-])c1cccc(/C([O-])=N/N=C(/[O-])c2ccccc2[O-])n1.c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of hexacopper;bis((N2Z,N6Z,2Z,6Z)-2-N,6-N-bis[oxido-(2-oxidophenyl)methylidene]pyridine-2,6-dicarbohydrazonate);tetrakis(pyridine)?
The InChIKey is RXRWPQCKTFQMOY-UHFFFAOYSA-B. The full InChI is InChI=1S/2C21H17N5O6.4C5H5N.6Cu/c2*27-16-10-3-1-6-12(16)18(29)23-25-20(31)14-8-5-9-15(22-14)21(32)26-24-19(30)13-7-2-4-11-17(13)28;4*1-2-4-6-5-3-1;;;;;;/h2*1-11,27-28H,(H,23,29)(H,24,30)(H,25,31)(H,26,32);4*1-5H;;;;;;/q;;;;;;6*+2/p-12.
What are the key properties of hexacopper;bis((N2Z,N6Z,2Z,6Z)-2-N,6-N-bis[oxido-(2-oxidophenyl)methylidene]pyridine-2,6-dicarbohydrazonate);tetrakis(pyridine)?
hexacopper;bis((N2Z,N6Z,2Z,6Z)-2-N,6-N-bis[oxido-(2-oxidophenyl)methylidene]pyridine-2,6-dicarbohydrazonate);tetrakis(pyridine) has a molecular weight of 1556.38 g/mol, XLogP of -1.91, 12 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for hexacopper;bis((N2Z,N6Z,2Z,6Z)-2-N,6-N-bis[oxido-(2-oxidophenyl)methylidene]pyridine-2,6-dicarbohydrazonate);tetrakis(pyridine) is sourced from PubChem (CID 139204383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).