copper;2,9-dimethyl-1,10-phenanthroline;bis(triphenylphosphanium)

C50H44CuN2P2+2 — CID 59698451

IUPACcopper;2,9-dimethyl-1,10-phenanthroline;bis(triphenylphosphanium)
SMILESCc1ccc2ccc3ccc(C)nc3c2n1.[Cu].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C14H12N2.Cu/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;/h2*1-15H;3-8H,1-2H3;/p+2
InChIKeyBAJFFJVGTCKHFG-UHFFFAOYSA-P
MW798.41 g/mol
LogP9.75
Rot. Bonds6

About copper;2,9-dimethyl-1,10-phenanthroline;bis(triphenylphosphanium)

copper;2,9-dimethyl-1,10-phenanthroline;bis(triphenylphosphanium) (PubChem CID 59698451) has the molecular formula C50H44CuN2P2+2 and a molecular weight of 798.41 g/mol. Its IUPAC name is copper;2,9-dimethyl-1,10-phenanthroline;bis(triphenylphosphanium).

Molecular Properties

Compound Namecopper;2,9-dimethyl-1,10-phenanthroline;bis(triphenylphosphanium)
PubChem CID59698451
Molecular FormulaC50H44CuN2P2+2
Molecular Weight798.41 g/mol
Exact Mass797.23
IUPAC Namecopper;2,9-dimethyl-1,10-phenanthroline;bis(triphenylphosphanium)
SMILESCc1ccc2ccc3ccc(C)nc3c2n1.[Cu].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/2C18H15P.C14H12N2.Cu/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;/h2*1-15H;3-8H,1-2H3;/p+2
InChIKeyBAJFFJVGTCKHFG-UHFFFAOYSA-P
XLogP9.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.41
LogP ≤ 59.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze copper;2,9-dimethyl-1,10-phenanthroline;bis(triphenylphosphanium) with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of copper;2,9-dimethyl-1,10-phenanthroline;bis(triphenylphosphanium)?
The IUPAC name of copper;2,9-dimethyl-1,10-phenanthroline;bis(triphenylphosphanium) (CID 59698451) is copper;2,9-dimethyl-1,10-phenanthroline;bis(triphenylphosphanium).
What is the SMILES notation for copper;2,9-dimethyl-1,10-phenanthroline;bis(triphenylphosphanium)?
The canonical SMILES for copper;2,9-dimethyl-1,10-phenanthroline;bis(triphenylphosphanium) is Cc1ccc2ccc3ccc(C)nc3c2n1.[Cu].c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.c1ccc([PH+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of copper;2,9-dimethyl-1,10-phenanthroline;bis(triphenylphosphanium)?
The InChIKey is BAJFFJVGTCKHFG-UHFFFAOYSA-P. The full InChI is InChI=1S/2C18H15P.C14H12N2.Cu/c2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9;/h2*1-15H;3-8H,1-2H3;/p+2.
What are the key properties of copper;2,9-dimethyl-1,10-phenanthroline;bis(triphenylphosphanium)?
copper;2,9-dimethyl-1,10-phenanthroline;bis(triphenylphosphanium) has a molecular weight of 798.41 g/mol, XLogP of 9.75, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2,9-dimethyl-1,10-phenanthroline;bis(triphenylphosphanium) is sourced from PubChem (CID 59698451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).