dicopper;(N1E,N4E,1Z,4Z)-1-N,4-N-bis[(3-methoxy-2-oxidophenyl)methylidene]benzene-1,4-dicarbohydrazonate;bis(pyridine)

C34H28Cu2N6O6 — CID 139086204

IUPACdicopper;(N1E,N4E,1Z,4Z)-1-N,4-N-bis[(3-methoxy-2-oxidophenyl)methylidene]benzene-1,4-dicarbohydrazonate;bis(pyridine)
SMILESCOc1cccc(/C=N/N=C(\[O-])c2ccc(/C([O-])=N/N=C/c3cccc(OC)c3[O-])cc2)c1[O-].[Cu+2].[Cu+2].c1ccncc1.c1ccncc1
InChIInChI=1S/C24H22N4O6.2C5H5N.2Cu/c1-33-19-7-3-5-17(21(19)29)13-25-27-23(31)15-9-11-16(12-10-15)24(32)28-26-14-18-6-4-8-20(34-2)22(18)30;2*1-2-4-6-5-3-1;;/h3-14,29-30H,1-2H3,(H,27,31)(H,28,32);2*1-5H;;/q;;;2*+2/p-4/b25-13+,26-14+;;;;
InChIKeyYMZSYPALKQSUNQ-PTYFAGGCSA-J
MW743.73 g/mol
LogP2.29
Rot. Bonds8

About dicopper;(N1E,N4E,1Z,4Z)-1-N,4-N-bis[(3-methoxy-2-oxidophenyl)methylidene]benzene-1,4-dicarbohydrazonate;bis(pyridine)

dicopper;(N1E,N4E,1Z,4Z)-1-N,4-N-bis[(3-methoxy-2-oxidophenyl)methylidene]benzene-1,4-dicarbohydrazonate;bis(pyridine) (PubChem CID 139086204) has the molecular formula C34H28Cu2N6O6 and a molecular weight of 743.73 g/mol. Its IUPAC name is dicopper;(N1E,N4E,1Z,4Z)-1-N,4-N-bis[(3-methoxy-2-oxidophenyl)methylidene]benzene-1,4-dicarbohydrazonate;bis(pyridine).

Molecular Properties

Compound Namedicopper;(N1E,N4E,1Z,4Z)-1-N,4-N-bis[(3-methoxy-2-oxidophenyl)methylidene]benzene-1,4-dicarbohydrazonate;bis(pyridine)
PubChem CID139086204
Molecular FormulaC34H28Cu2N6O6
Molecular Weight743.73 g/mol
Exact Mass742.07
IUPAC Namedicopper;(N1E,N4E,1Z,4Z)-1-N,4-N-bis[(3-methoxy-2-oxidophenyl)methylidene]benzene-1,4-dicarbohydrazonate;bis(pyridine)
SMILESCOc1cccc(/C=N/N=C(\[O-])c2ccc(/C([O-])=N/N=C/c3cccc(OC)c3[O-])cc2)c1[O-].[Cu+2].[Cu+2].c1ccncc1.c1ccncc1
InChIInChI=1S/C24H22N4O6.2C5H5N.2Cu/c1-33-19-7-3-5-17(21(19)29)13-25-27-23(31)15-9-11-16(12-10-15)24(32)28-26-14-18-6-4-8-20(34-2)22(18)30;2*1-2-4-6-5-3-1;;/h3-14,29-30H,1-2H3,(H,27,31)(H,28,32);2*1-5H;;/q;;;2*+2/p-4/b25-13+,26-14+;;;;
InChIKeyYMZSYPALKQSUNQ-PTYFAGGCSA-J
XLogP2.29
TPSA185.92 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500743.73
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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'}

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Related Compounds

1-[2-(2,3-Dimethoxyphenyl)ethenyl]isoquinoline
CID 295532
Cambridge id 5301897
CID 5338423
methyl (NE,4Z)-N-[(3,4-dimethoxyphenyl)methylidene]pyridine-4-carbohydrazonate
CID 9555928
4-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]pyridine
CID 754773
1-[2-(2,3-Dimethoxyphenyl)vinyl]isoquinoline
CID 5937213
3-[3,4-Bis(phenylmethoxy)phenyl]-4-(4-ethylphenyl)pyridine
CID 168275431
3-[3,4-Bis(phenylmethoxy)phenyl]-4-(4-methylphenyl)pyridine
CID 168278585
N-[(E)-(2,3-dimethoxyphenyl)methyleneamino]pyridine-4-carboxamidine
CID 9574317
4,4'-((2,5-Dimethoxy-1,4-phenylene)bis(ethene-2,1-diyl))dipyridine
CID 11702930
4,4'-[(2,5-Dimethoxy-1,4-phenylene)di(ethene-2,1-diyl)]dipyridine
CID 68954650
3-[2-[2-(3,4-Dimethoxyphenyl)-4-fluorophenyl]-1-pyridin-3-ylethyl]pyridine
CID 67265019
4-[[4-(3,4-Dimethoxyphenyl)phenyl]-fluoromethyl]pyridine
CID 118263533

Frequently Asked Questions

What is the IUPAC name of dicopper;(N1E,N4E,1Z,4Z)-1-N,4-N-bis[(3-methoxy-2-oxidophenyl)methylidene]benzene-1,4-dicarbohydrazonate;bis(pyridine)?
The IUPAC name of dicopper;(N1E,N4E,1Z,4Z)-1-N,4-N-bis[(3-methoxy-2-oxidophenyl)methylidene]benzene-1,4-dicarbohydrazonate;bis(pyridine) (CID 139086204) is dicopper;(N1E,N4E,1Z,4Z)-1-N,4-N-bis[(3-methoxy-2-oxidophenyl)methylidene]benzene-1,4-dicarbohydrazonate;bis(pyridine).
What is the SMILES notation for dicopper;(N1E,N4E,1Z,4Z)-1-N,4-N-bis[(3-methoxy-2-oxidophenyl)methylidene]benzene-1,4-dicarbohydrazonate;bis(pyridine)?
The canonical SMILES for dicopper;(N1E,N4E,1Z,4Z)-1-N,4-N-bis[(3-methoxy-2-oxidophenyl)methylidene]benzene-1,4-dicarbohydrazonate;bis(pyridine) is COc1cccc(/C=N/N=C(\[O-])c2ccc(/C([O-])=N/N=C/c3cccc(OC)c3[O-])cc2)c1[O-].[Cu+2].[Cu+2].c1ccncc1.c1ccncc1.
What is the InChIKey of dicopper;(N1E,N4E,1Z,4Z)-1-N,4-N-bis[(3-methoxy-2-oxidophenyl)methylidene]benzene-1,4-dicarbohydrazonate;bis(pyridine)?
The InChIKey is YMZSYPALKQSUNQ-PTYFAGGCSA-J. The full InChI is InChI=1S/C24H22N4O6.2C5H5N.2Cu/c1-33-19-7-3-5-17(21(19)29)13-25-27-23(31)15-9-11-16(12-10-15)24(32)28-26-14-18-6-4-8-20(34-2)22(18)30;2*1-2-4-6-5-3-1;;/h3-14,29-30H,1-2H3,(H,27,31)(H,28,32);2*1-5H;;/q;;;2*+2/p-4/b25-13+,26-14+;;;;.
What are the key properties of dicopper;(N1E,N4E,1Z,4Z)-1-N,4-N-bis[(3-methoxy-2-oxidophenyl)methylidene]benzene-1,4-dicarbohydrazonate;bis(pyridine)?
dicopper;(N1E,N4E,1Z,4Z)-1-N,4-N-bis[(3-methoxy-2-oxidophenyl)methylidene]benzene-1,4-dicarbohydrazonate;bis(pyridine) has a molecular weight of 743.73 g/mol, XLogP of 2.29, 8 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[(3-methoxy-2-oxidophenyl)methylidene]benzene-1,4-dicarbohydrazonate;bis(pyridine) is sourced from PubChem (CID 139086204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).