copper bis((Z)-3-benzylimino-1-phenylbut-1-en-1-olate)

C34H32CuN2O2 — CID 139203468

IUPACcopper bis((Z)-3-benzylimino-1-phenylbut-1-en-1-olate)
SMILESCC(/C=C(\[O-])c1ccccc1)=N\Cc1ccccc1.CC(/C=C(\[O-])c1ccccc1)=N\Cc1ccccc1.[Cu+2]
InChIInChI=1S/2C17H17NO.Cu/c2*1-14(18-13-15-8-4-2-5-9-15)12-17(19)16-10-6-3-7-11-16;/h2*2-12,19H,13H2,1H3;/q;;+2/p-2/b2*17-12-,18-14+;
InChIKeyRYEDMJOJOFNMIG-RIVSMBGASA-L
MW564.19 g/mol
LogP6.10
Rot. Bonds8

About copper bis((Z)-3-benzylimino-1-phenylbut-1-en-1-olate)

copper bis((Z)-3-benzylimino-1-phenylbut-1-en-1-olate) (PubChem CID 139203468) has the molecular formula C34H32CuN2O2 and a molecular weight of 564.19 g/mol. Its IUPAC name is copper bis((Z)-3-benzylimino-1-phenylbut-1-en-1-olate).

Molecular Properties

Compound Namecopper bis((Z)-3-benzylimino-1-phenylbut-1-en-1-olate)
PubChem CID139203468
Molecular FormulaC34H32CuN2O2
Molecular Weight564.19 g/mol
Exact Mass563.18
IUPAC Namecopper bis((Z)-3-benzylimino-1-phenylbut-1-en-1-olate)
SMILESCC(/C=C(\[O-])c1ccccc1)=N\Cc1ccccc1.CC(/C=C(\[O-])c1ccccc1)=N\Cc1ccccc1.[Cu+2]
InChIInChI=1S/2C17H17NO.Cu/c2*1-14(18-13-15-8-4-2-5-9-15)12-17(19)16-10-6-3-7-11-16;/h2*2-12,19H,13H2,1H3;/q;;+2/p-2/b2*17-12-,18-14+;
InChIKeyRYEDMJOJOFNMIG-RIVSMBGASA-L
XLogP6.10
TPSA70.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.19
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(benzoylhydrazinylidene)-1-phenylbut-1-en-1-olate
CID 54720106
gallium tris(3-oxo-1-phenylbut-1-en-1-olate)
CID 73160345
sodium (Z)-3-oxo-1-phenylbut-1-en-1-olate
CID 23681715
N'-benzyl-N-methoxybenzenecarboximidamide
CID 118529903
N'-benzyl-N,N-dimethylethanimidamide
CID 525276
N-benzyl-1-[5-(N-benzyl-C-methylcarbonimidoyl)furan-2-yl]ethanimine
CID 20701710
N'-(N-benzyl-C-methylcarbonimidoyl)-N-methylidenebenzenecarboximidamide;ethane
CID 144831026
N-benzyl-1-phenylpentan-1-imine
CID 20688068
N-benzyl-2,4-dimethylpentan-3-imine
CID 15160187
3-benzyliminobutanoic acid
CID 23175618
3-benzylimino-1-(4-methylphenyl)butan-1-one
CID 7307989
N-benzyl-1-naphthalen-2-ylethanimine
CID 2731696

Frequently Asked Questions

What is the IUPAC name of copper bis((Z)-3-benzylimino-1-phenylbut-1-en-1-olate)?
The IUPAC name of copper bis((Z)-3-benzylimino-1-phenylbut-1-en-1-olate) (CID 139203468) is copper bis((Z)-3-benzylimino-1-phenylbut-1-en-1-olate).
What is the SMILES notation for copper bis((Z)-3-benzylimino-1-phenylbut-1-en-1-olate)?
The canonical SMILES for copper bis((Z)-3-benzylimino-1-phenylbut-1-en-1-olate) is CC(/C=C(\[O-])c1ccccc1)=N\Cc1ccccc1.CC(/C=C(\[O-])c1ccccc1)=N\Cc1ccccc1.[Cu+2].
What is the InChIKey of copper bis((Z)-3-benzylimino-1-phenylbut-1-en-1-olate)?
The InChIKey is RYEDMJOJOFNMIG-RIVSMBGASA-L. The full InChI is InChI=1S/2C17H17NO.Cu/c2*1-14(18-13-15-8-4-2-5-9-15)12-17(19)16-10-6-3-7-11-16;/h2*2-12,19H,13H2,1H3;/q;;+2/p-2/b2*17-12-,18-14+;.
What are the key properties of copper bis((Z)-3-benzylimino-1-phenylbut-1-en-1-olate)?
copper bis((Z)-3-benzylimino-1-phenylbut-1-en-1-olate) has a molecular weight of 564.19 g/mol, XLogP of 6.10, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis((Z)-3-benzylimino-1-phenylbut-1-en-1-olate) is sourced from PubChem (CID 139203468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).