4,7-diphenyl-1,10-phenanthroline;thorium(4+);tetrachloride

C24H16Cl4N2Th — CID 21087820

IUPAC4,7-diphenyl-1,10-phenanthroline;thorium(4+);tetrachloride
SMILES[Cl-].[Cl-].[Cl-].[Cl-].[Th+4].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C24H16N2.4ClH.Th/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;;;;;/h1-16H;4*1H;/q;;;;;+4/p-4
InChIKeyUSHRQBJRXANXSW-UHFFFAOYSA-J
MW706.26 g/mol
LogP-5.87
Rot. Bonds2

About 4,7-diphenyl-1,10-phenanthroline;thorium(4+);tetrachloride

4,7-diphenyl-1,10-phenanthroline;thorium(4+);tetrachloride (PubChem CID 21087820) has the molecular formula C24H16Cl4N2Th and a molecular weight of 706.26 g/mol. Its IUPAC name is 4,7-diphenyl-1,10-phenanthroline;thorium(4+);tetrachloride.

Molecular Properties

Compound Name4,7-diphenyl-1,10-phenanthroline;thorium(4+);tetrachloride
PubChem CID21087820
Molecular FormulaC24H16Cl4N2Th
Molecular Weight706.26 g/mol
Exact Mass704.04
IUPAC Name4,7-diphenyl-1,10-phenanthroline;thorium(4+);tetrachloride
SMILES[Cl-].[Cl-].[Cl-].[Cl-].[Th+4].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C24H16N2.4ClH.Th/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;;;;;/h1-16H;4*1H;/q;;;;;+4/p-4
InChIKeyUSHRQBJRXANXSW-UHFFFAOYSA-J
XLogP-5.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500706.26
LogP ≤ 5-5.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,7-diphenyl-1,10-phenanthroline;thorium(4+);tetrachloride 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 4,7-diphenyl-1,10-phenanthroline;thorium(4+);tetrachloride?
The IUPAC name of 4,7-diphenyl-1,10-phenanthroline;thorium(4+);tetrachloride (CID 21087820) is 4,7-diphenyl-1,10-phenanthroline;thorium(4+);tetrachloride.
What is the SMILES notation for 4,7-diphenyl-1,10-phenanthroline;thorium(4+);tetrachloride?
The canonical SMILES for 4,7-diphenyl-1,10-phenanthroline;thorium(4+);tetrachloride is [Cl-].[Cl-].[Cl-].[Cl-].[Th+4].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.
What is the InChIKey of 4,7-diphenyl-1,10-phenanthroline;thorium(4+);tetrachloride?
The InChIKey is USHRQBJRXANXSW-UHFFFAOYSA-J. The full InChI is InChI=1S/C24H16N2.4ClH.Th/c1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;;;;;/h1-16H;4*1H;/q;;;;;+4/p-4.
What are the key properties of 4,7-diphenyl-1,10-phenanthroline;thorium(4+);tetrachloride?
4,7-diphenyl-1,10-phenanthroline;thorium(4+);tetrachloride has a molecular weight of 706.26 g/mol, XLogP of -5.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diphenyl-1,10-phenanthroline;thorium(4+);tetrachloride is sourced from PubChem (CID 21087820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).