copper bis(4-[(2Z)-2-(1,3,4-trioxonaphthalen-2-ylidene)hydrazinyl]benzoate)

C34H18CuN4O10 — CID 46854578

IUPACcopper bis(4-[(2Z)-2-(1,3,4-trioxonaphthalen-2-ylidene)hydrazinyl]benzoate)
SMILESO=C([O-])c1ccc(N/N=c2\c(=O)c(=O)c3ccccc3c2=O)cc1.O=C([O-])c1ccc(N/N=c2\c(=O)c(=O)c3ccccc3c2=O)cc1.[Cu+2]
InChIInChI=1S/2C17H10N2O5.Cu/c2*20-14-11-3-1-2-4-12(11)15(21)16(22)13(14)19-18-10-7-5-9(6-8-10)17(23)24;/h2*1-8,18H,(H,23,24);/q;;+2/p-2/b2*19-13-;
InChIKeyMAYZCPAWWDTFCL-NYNYGYKOSA-L
MW706.08 g/mol
LogP-1.83
Rot. Bonds6

About copper bis(4-[(2Z)-2-(1,3,4-trioxonaphthalen-2-ylidene)hydrazinyl]benzoate)

copper bis(4-[(2Z)-2-(1,3,4-trioxonaphthalen-2-ylidene)hydrazinyl]benzoate) (PubChem CID 46854578) has the molecular formula C34H18CuN4O10 and a molecular weight of 706.08 g/mol. Its IUPAC name is copper bis(4-[(2Z)-2-(1,3,4-trioxonaphthalen-2-ylidene)hydrazinyl]benzoate).

Molecular Properties

Compound Namecopper bis(4-[(2Z)-2-(1,3,4-trioxonaphthalen-2-ylidene)hydrazinyl]benzoate)
PubChem CID46854578
Molecular FormulaC34H18CuN4O10
Molecular Weight706.08 g/mol
Exact Mass705.03
IUPAC Namecopper bis(4-[(2Z)-2-(1,3,4-trioxonaphthalen-2-ylidene)hydrazinyl]benzoate)
SMILESO=C([O-])c1ccc(N/N=c2\c(=O)c(=O)c3ccccc3c2=O)cc1.O=C([O-])c1ccc(N/N=c2\c(=O)c(=O)c3ccccc3c2=O)cc1.[Cu+2]
InChIInChI=1S/2C17H10N2O5.Cu/c2*20-14-11-3-1-2-4-12(11)15(21)16(22)13(14)19-18-10-7-5-9(6-8-10)17(23)24;/h2*1-8,18H,(H,23,24);/q;;+2/p-2/b2*19-13-;
InChIKeyMAYZCPAWWDTFCL-NYNYGYKOSA-L
XLogP-1.83
TPSA231.46 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.08
LogP ≤ 5-1.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[2-(1,3-dihydroinden-2-ylidene)hydrazinyl]benzoate
CID 9013358
2-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]indene-1,3-dione
CID 2349090
4-amino-N-[(1,3-dioxoinden-2-ylidene)amino]benzamide
CID 15294492
4-[(2Z)-2-(quinolin-4-ylmethylidene)hydrazinyl]benzoate
CID 7732012
copper;zinc;tetrabenzoate
CID 174787917
4-[2-(1-ethylpiperidin-1-ium-4-ylidene)hydrazinyl]benzoate
CID 7420077
terephthalate;vanadium(4+)
CID 157213578
dipotassium;terephthalate
CID 25981
dilithium;terephthalate
CID 14361651
4-[(2Z)-2-(1-pyridin-2-ylethylidene)hydrazinyl]benzoate
CID 7744968
2-[(4-carboxylatophenyl)carbamoyl]benzoate
CID 6936041
4-(phenylcarbamoyl)benzoate
CID 158012761

Frequently Asked Questions

What is the IUPAC name of copper bis(4-[(2Z)-2-(1,3,4-trioxonaphthalen-2-ylidene)hydrazinyl]benzoate)?
The IUPAC name of copper bis(4-[(2Z)-2-(1,3,4-trioxonaphthalen-2-ylidene)hydrazinyl]benzoate) (CID 46854578) is copper bis(4-[(2Z)-2-(1,3,4-trioxonaphthalen-2-ylidene)hydrazinyl]benzoate).
What is the SMILES notation for copper bis(4-[(2Z)-2-(1,3,4-trioxonaphthalen-2-ylidene)hydrazinyl]benzoate)?
The canonical SMILES for copper bis(4-[(2Z)-2-(1,3,4-trioxonaphthalen-2-ylidene)hydrazinyl]benzoate) is O=C([O-])c1ccc(N/N=c2\c(=O)c(=O)c3ccccc3c2=O)cc1.O=C([O-])c1ccc(N/N=c2\c(=O)c(=O)c3ccccc3c2=O)cc1.[Cu+2].
What is the InChIKey of copper bis(4-[(2Z)-2-(1,3,4-trioxonaphthalen-2-ylidene)hydrazinyl]benzoate)?
The InChIKey is MAYZCPAWWDTFCL-NYNYGYKOSA-L. The full InChI is InChI=1S/2C17H10N2O5.Cu/c2*20-14-11-3-1-2-4-12(11)15(21)16(22)13(14)19-18-10-7-5-9(6-8-10)17(23)24;/h2*1-8,18H,(H,23,24);/q;;+2/p-2/b2*19-13-;.
What are the key properties of copper bis(4-[(2Z)-2-(1,3,4-trioxonaphthalen-2-ylidene)hydrazinyl]benzoate)?
copper bis(4-[(2Z)-2-(1,3,4-trioxonaphthalen-2-ylidene)hydrazinyl]benzoate) has a molecular weight of 706.08 g/mol, XLogP of -1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(4-[(2Z)-2-(1,3,4-trioxonaphthalen-2-ylidene)hydrazinyl]benzoate) is sourced from PubChem (CID 46854578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).