bis(2-diphenylphosphaniumylethyl)azanide;manganese(3+);methanone

C30H32MnNO2P2+2 — CID 153284876

IUPACbis(2-diphenylphosphaniumylethyl)azanide;manganese(3+);methanone
SMILES[CH-]=O.[CH-]=O.[Mn+3].c1ccc([PH+](CC[N-]CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H28NP2.2CHO.Mn/c1-5-13-25(14-6-1)30(26-15-7-2-8-16-26)23-21-29-22-24-31(27-17-9-3-10-18-27)28-19-11-4-12-20-28;2*1-2;/h1-20H,21-24H2;2*1H;/q3*-1;+3/p+2
InChIKeySZABPJBLVBVQRP-UHFFFAOYSA-P
MW555.48 g/mol
LogP4.54
Rot. Bonds10

About bis(2-diphenylphosphaniumylethyl)azanide;manganese(3+);methanone

bis(2-diphenylphosphaniumylethyl)azanide;manganese(3+);methanone (PubChem CID 153284876) has the molecular formula C30H32MnNO2P2+2 and a molecular weight of 555.48 g/mol. Its IUPAC name is bis(2-diphenylphosphaniumylethyl)azanide;manganese(3+);methanone.

Molecular Properties

Compound Namebis(2-diphenylphosphaniumylethyl)azanide;manganese(3+);methanone
PubChem CID153284876
Molecular FormulaC30H32MnNO2P2+2
Molecular Weight555.48 g/mol
Exact Mass555.13
IUPAC Namebis(2-diphenylphosphaniumylethyl)azanide;manganese(3+);methanone
SMILES[CH-]=O.[CH-]=O.[Mn+3].c1ccc([PH+](CC[N-]CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H28NP2.2CHO.Mn/c1-5-13-25(14-6-1)30(26-15-7-2-8-16-26)23-21-29-22-24-31(27-17-9-3-10-18-27)28-19-11-4-12-20-28;2*1-2;/h1-20H,21-24H2;2*1H;/q3*-1;+3/p+2
InChIKeySZABPJBLVBVQRP-UHFFFAOYSA-P
XLogP4.54
TPSA48.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.48
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze bis(2-diphenylphosphaniumylethyl)azanide;manganese(3+);methanone 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 bis(2-diphenylphosphaniumylethyl)azanide;manganese(3+);methanone?
The IUPAC name of bis(2-diphenylphosphaniumylethyl)azanide;manganese(3+);methanone (CID 153284876) is bis(2-diphenylphosphaniumylethyl)azanide;manganese(3+);methanone.
What is the SMILES notation for bis(2-diphenylphosphaniumylethyl)azanide;manganese(3+);methanone?
The canonical SMILES for bis(2-diphenylphosphaniumylethyl)azanide;manganese(3+);methanone is [CH-]=O.[CH-]=O.[Mn+3].c1ccc([PH+](CC[N-]CC[PH+](c2ccccc2)c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of bis(2-diphenylphosphaniumylethyl)azanide;manganese(3+);methanone?
The InChIKey is SZABPJBLVBVQRP-UHFFFAOYSA-P. The full InChI is InChI=1S/C28H28NP2.2CHO.Mn/c1-5-13-25(14-6-1)30(26-15-7-2-8-16-26)23-21-29-22-24-31(27-17-9-3-10-18-27)28-19-11-4-12-20-28;2*1-2;/h1-20H,21-24H2;2*1H;/q3*-1;+3/p+2.
What are the key properties of bis(2-diphenylphosphaniumylethyl)azanide;manganese(3+);methanone?
bis(2-diphenylphosphaniumylethyl)azanide;manganese(3+);methanone has a molecular weight of 555.48 g/mol, XLogP of 4.54, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-diphenylphosphaniumylethyl)azanide;manganese(3+);methanone is sourced from PubChem (CID 153284876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).