copper;chloroform;bis(4-oxo-2-phenylchromen-3-olate)

C32H20Cl6CuO6 — CID 139162743

IUPACcopper;chloroform;bis(4-oxo-2-phenylchromen-3-olate)
SMILESClC(Cl)Cl.ClC(Cl)Cl.O=c1c([O-])c(-c2ccccc2)oc2ccccc12.O=c1c([O-])c(-c2ccccc2)oc2ccccc12.[Cu+2]
InChIInChI=1S/2C15H10O3.2CHCl3.Cu/c2*16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10;2*2-1(3)4;/h2*1-9,17H;2*1H;/q;;;;+2/p-2
InChIKeyGONHLBPJXUAWKO-UHFFFAOYSA-L
MW776.77 g/mol
LogP9.04
Rot. Bonds2

About copper;chloroform;bis(4-oxo-2-phenylchromen-3-olate)

copper;chloroform;bis(4-oxo-2-phenylchromen-3-olate) (PubChem CID 139162743) has the molecular formula C32H20Cl6CuO6 and a molecular weight of 776.77 g/mol. Its IUPAC name is copper;chloroform;bis(4-oxo-2-phenylchromen-3-olate).

Molecular Properties

Compound Namecopper;chloroform;bis(4-oxo-2-phenylchromen-3-olate)
PubChem CID139162743
Molecular FormulaC32H20Cl6CuO6
Molecular Weight776.77 g/mol
Exact Mass772.87
IUPAC Namecopper;chloroform;bis(4-oxo-2-phenylchromen-3-olate)
SMILESClC(Cl)Cl.ClC(Cl)Cl.O=c1c([O-])c(-c2ccccc2)oc2ccccc12.O=c1c([O-])c(-c2ccccc2)oc2ccccc12.[Cu+2]
InChIInChI=1S/2C15H10O3.2CHCl3.Cu/c2*16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10;2*2-1(3)4;/h2*1-9,17H;2*1H;/q;;;;+2/p-2
InChIKeyGONHLBPJXUAWKO-UHFFFAOYSA-L
XLogP9.04
TPSA106.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.77
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze copper;chloroform;bis(4-oxo-2-phenylchromen-3-olate) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-2-phenylchromen-4-one;iron
CID 161072875
3-[hydroxy(phenyl)methyl]-2-phenylchromen-4-one
CID 11077963
3-benzhydryloxy-2-(4-chlorophenyl)chromen-4-one
CID 46303321
3-hydroxy-2-phenylchromen-4-one;sulfuric acid
CID 118009267
(4-oxo-2-phenylchromen-3-yl) 2-bromobenzoate
CID 1178206
3-but-3-en-2-yl-2-phenylchromen-4-one
CID 102136808
3-(2-hydroxyphenyl)sulfanyl-2-phenylchromen-4-one
CID 175174180
carbon monoxide;3-hydroxy-2-phenylchromen-4-one;technetium-99;hydrate
CID 46933843
2-phenyl-3-[(E)-2-phenylethenyl]chromen-4-one
CID 15461730
3-(oxiran-2-ylmethoxy)-2-phenylchromen-4-one
CID 87249691
3-azido-2-phenylchromen-4-one
CID 90825392
2-(4-oxo-2-phenylchromen-3-yl)oxyacetic acid
CID 735034

Frequently Asked Questions

What is the IUPAC name of copper;chloroform;bis(4-oxo-2-phenylchromen-3-olate)?
The IUPAC name of copper;chloroform;bis(4-oxo-2-phenylchromen-3-olate) (CID 139162743) is copper;chloroform;bis(4-oxo-2-phenylchromen-3-olate).
What is the SMILES notation for copper;chloroform;bis(4-oxo-2-phenylchromen-3-olate)?
The canonical SMILES for copper;chloroform;bis(4-oxo-2-phenylchromen-3-olate) is ClC(Cl)Cl.ClC(Cl)Cl.O=c1c([O-])c(-c2ccccc2)oc2ccccc12.O=c1c([O-])c(-c2ccccc2)oc2ccccc12.[Cu+2].
What is the InChIKey of copper;chloroform;bis(4-oxo-2-phenylchromen-3-olate)?
The InChIKey is GONHLBPJXUAWKO-UHFFFAOYSA-L. The full InChI is InChI=1S/2C15H10O3.2CHCl3.Cu/c2*16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10;2*2-1(3)4;/h2*1-9,17H;2*1H;/q;;;;+2/p-2.
What are the key properties of copper;chloroform;bis(4-oxo-2-phenylchromen-3-olate)?
copper;chloroform;bis(4-oxo-2-phenylchromen-3-olate) has a molecular weight of 776.77 g/mol, XLogP of 9.04, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;chloroform;bis(4-oxo-2-phenylchromen-3-olate) is sourced from PubChem (CID 139162743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).