dicopper;(N1E,N4E,1Z,4Z)-1-N,4-N-bis[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]benzene-1,4-dicarbohydrazonate;tetrakis(pyridine)

C38H32Cu2F6N8O4 — CID 139160915

IUPACdicopper;(N1E,N4E,1Z,4Z)-1-N,4-N-bis[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]benzene-1,4-dicarbohydrazonate;tetrakis(pyridine)
SMILESCC(/C=C(\[O-])C(F)(F)F)=N\N=C(/[O-])c1ccc(/C([O-])=N/N=C(C)/C=C(\[O-])C(F)(F)F)cc1.[Cu+2].[Cu+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/C18H16F6N4O4.4C5H5N.2Cu/c1-9(7-13(29)17(19,20)21)25-27-15(31)11-3-5-12(6-4-11)16(32)28-26-10(2)8-14(30)18(22,23)24;4*1-2-4-6-5-3-1;;/h3-8,29-30H,1-2H3,(H,27,31)(H,28,32);4*1-5H;;/q;;;;;2*+2/p-4/b13-7-,14-8-,25-9+,26-10+;;;;;;
InChIKeyXDVNGTFHEFSVHZ-RBDVZLSZSA-J
MW905.81 g/mol
LogP4.59
Rot. Bonds6

About dicopper;(N1E,N4E,1Z,4Z)-1-N,4-N-bis[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]benzene-1,4-dicarbohydrazonate;tetrakis(pyridine)

dicopper;(N1E,N4E,1Z,4Z)-1-N,4-N-bis[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]benzene-1,4-dicarbohydrazonate;tetrakis(pyridine) (PubChem CID 139160915) has the molecular formula C38H32Cu2F6N8O4 and a molecular weight of 905.81 g/mol. Its IUPAC name is dicopper;(N1E,N4E,1Z,4Z)-1-N,4-N-bis[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]benzene-1,4-dicarbohydrazonate;tetrakis(pyridine).

Molecular Properties

Compound Namedicopper;(N1E,N4E,1Z,4Z)-1-N,4-N-bis[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]benzene-1,4-dicarbohydrazonate;tetrakis(pyridine)
PubChem CID139160915
Molecular FormulaC38H32Cu2F6N8O4
Molecular Weight905.81 g/mol
Exact Mass904.10
IUPAC Namedicopper;(N1E,N4E,1Z,4Z)-1-N,4-N-bis[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]benzene-1,4-dicarbohydrazonate;tetrakis(pyridine)
SMILESCC(/C=C(\[O-])C(F)(F)F)=N\N=C(/[O-])c1ccc(/C([O-])=N/N=C(C)/C=C(\[O-])C(F)(F)F)cc1.[Cu+2].[Cu+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/C18H16F6N4O4.4C5H5N.2Cu/c1-9(7-13(29)17(19,20)21)25-27-15(31)11-3-5-12(6-4-11)16(32)28-26-10(2)8-14(30)18(22,23)24;4*1-2-4-6-5-3-1;;/h3-8,29-30H,1-2H3,(H,27,31)(H,28,32);4*1-5H;;/q;;;;;2*+2/p-4/b13-7-,14-8-,25-9+,26-10+;;;;;;
InChIKeyXDVNGTFHEFSVHZ-RBDVZLSZSA-J
XLogP4.59
TPSA193.24 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500905.81
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dicopper;(N1E,N4E,1Z,4Z)-1-N,4-N-bis[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]benzene-1,4-dicarbohydrazonate;tetrakis(pyridine)?
The IUPAC name of dicopper;(N1E,N4E,1Z,4Z)-1-N,4-N-bis[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]benzene-1,4-dicarbohydrazonate;tetrakis(pyridine) (CID 139160915) is dicopper;(N1E,N4E,1Z,4Z)-1-N,4-N-bis[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]benzene-1,4-dicarbohydrazonate;tetrakis(pyridine).
What is the SMILES notation for dicopper;(N1E,N4E,1Z,4Z)-1-N,4-N-bis[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]benzene-1,4-dicarbohydrazonate;tetrakis(pyridine)?
The canonical SMILES for dicopper;(N1E,N4E,1Z,4Z)-1-N,4-N-bis[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]benzene-1,4-dicarbohydrazonate;tetrakis(pyridine) is CC(/C=C(\[O-])C(F)(F)F)=N\N=C(/[O-])c1ccc(/C([O-])=N/N=C(C)/C=C(\[O-])C(F)(F)F)cc1.[Cu+2].[Cu+2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of dicopper;(N1E,N4E,1Z,4Z)-1-N,4-N-bis[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]benzene-1,4-dicarbohydrazonate;tetrakis(pyridine)?
The InChIKey is XDVNGTFHEFSVHZ-RBDVZLSZSA-J. The full InChI is InChI=1S/C18H16F6N4O4.4C5H5N.2Cu/c1-9(7-13(29)17(19,20)21)25-27-15(31)11-3-5-12(6-4-11)16(32)28-26-10(2)8-14(30)18(22,23)24;4*1-2-4-6-5-3-1;;/h3-8,29-30H,1-2H3,(H,27,31)(H,28,32);4*1-5H;;/q;;;;;2*+2/p-4/b13-7-,14-8-,25-9+,26-10+;;;;;;.
What are the key properties of dicopper;(N1E,N4E,1Z,4Z)-1-N,4-N-bis[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]benzene-1,4-dicarbohydrazonate;tetrakis(pyridine)?
dicopper;(N1E,N4E,1Z,4Z)-1-N,4-N-bis[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]benzene-1,4-dicarbohydrazonate;tetrakis(pyridine) has a molecular weight of 905.81 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for dicopper;(N1E,N4E,1Z,4Z)-1-N,4-N-bis[(Z)-5,5,5-trifluoro-4-oxidopent-3-en-2-ylidene]benzene-1,4-dicarbohydrazonate;tetrakis(pyridine) is sourced from PubChem (CID 139160915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).