copper;bis(5-oxo-4,4-diphenyl-1H-imidazol-2-olate);bis(2-phenylethanamine)

C46H44CuN6O4-2 — CID 50933841

IUPACcopper;bis(5-oxo-4,4-diphenyl-1H-imidazol-2-olate);bis(2-phenylethanamine)
SMILESNCCc1ccccc1.NCCc1ccccc1.O=C1NC([O-])=NC1(c1ccccc1)c1ccccc1.O=C1NC([O-])=NC1(c1ccccc1)c1ccccc1.[Cu]
InChIInChI=1S/2C15H12N2O2.2C8H11N.Cu/c2*18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12;2*9-7-6-8-4-2-1-3-5-8;/h2*1-10H,(H2,16,17,18,19);2*1-5H,6-7,9H2;/p-2
InChIKeyVWQFSTODONMGPQ-UHFFFAOYSA-L
MW808.44 g/mol
LogP3.93
Rot. Bonds8

About copper;bis(5-oxo-4,4-diphenyl-1H-imidazol-2-olate);bis(2-phenylethanamine)

copper;bis(5-oxo-4,4-diphenyl-1H-imidazol-2-olate);bis(2-phenylethanamine) (PubChem CID 50933841) has the molecular formula C46H44CuN6O4-2 and a molecular weight of 808.44 g/mol. Its IUPAC name is copper;bis(5-oxo-4,4-diphenyl-1H-imidazol-2-olate);bis(2-phenylethanamine).

Molecular Properties

Compound Namecopper;bis(5-oxo-4,4-diphenyl-1H-imidazol-2-olate);bis(2-phenylethanamine)
PubChem CID50933841
Molecular FormulaC46H44CuN6O4-2
Molecular Weight808.44 g/mol
Exact Mass807.27
IUPAC Namecopper;bis(5-oxo-4,4-diphenyl-1H-imidazol-2-olate);bis(2-phenylethanamine)
SMILESNCCc1ccccc1.NCCc1ccccc1.O=C1NC([O-])=NC1(c1ccccc1)c1ccccc1.O=C1NC([O-])=NC1(c1ccccc1)c1ccccc1.[Cu]
InChIInChI=1S/2C15H12N2O2.2C8H11N.Cu/c2*18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12;2*9-7-6-8-4-2-1-3-5-8;/h2*1-10H,(H2,16,17,18,19);2*1-5H,6-7,9H2;/p-2
InChIKeyVWQFSTODONMGPQ-UHFFFAOYSA-L
XLogP3.93
TPSA181.08 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500808.44
LogP ≤ 53.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of copper;bis(5-oxo-4,4-diphenyl-1H-imidazol-2-olate);bis(2-phenylethanamine)?
The IUPAC name of copper;bis(5-oxo-4,4-diphenyl-1H-imidazol-2-olate);bis(2-phenylethanamine) (CID 50933841) is copper;bis(5-oxo-4,4-diphenyl-1H-imidazol-2-olate);bis(2-phenylethanamine).
What is the SMILES notation for copper;bis(5-oxo-4,4-diphenyl-1H-imidazol-2-olate);bis(2-phenylethanamine)?
The canonical SMILES for copper;bis(5-oxo-4,4-diphenyl-1H-imidazol-2-olate);bis(2-phenylethanamine) is NCCc1ccccc1.NCCc1ccccc1.O=C1NC([O-])=NC1(c1ccccc1)c1ccccc1.O=C1NC([O-])=NC1(c1ccccc1)c1ccccc1.[Cu].
What is the InChIKey of copper;bis(5-oxo-4,4-diphenyl-1H-imidazol-2-olate);bis(2-phenylethanamine)?
The InChIKey is VWQFSTODONMGPQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C15H12N2O2.2C8H11N.Cu/c2*18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12;2*9-7-6-8-4-2-1-3-5-8;/h2*1-10H,(H2,16,17,18,19);2*1-5H,6-7,9H2;/p-2.
What are the key properties of copper;bis(5-oxo-4,4-diphenyl-1H-imidazol-2-olate);bis(2-phenylethanamine)?
copper;bis(5-oxo-4,4-diphenyl-1H-imidazol-2-olate);bis(2-phenylethanamine) has a molecular weight of 808.44 g/mol, XLogP of 3.93, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(5-oxo-4,4-diphenyl-1H-imidazol-2-olate);bis(2-phenylethanamine) is sourced from PubChem (CID 50933841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).