[6-[di(propan-2-yl)phosphaniumylmethyl]-2-pyridinyl]methyl-di(propan-2-yl)phosphanium;manganese(3+);methanone

C22H40MnNO3P2+2 — CID 153284875

About [6-[di(propan-2-yl)phosphaniumylmethyl]-2-pyridinyl]methyl-di(propan-2-yl)phosphanium;manganese(3+);methanone

[6-[di(propan-2-yl)phosphaniumylmethyl]-2-pyridinyl]methyl-di(propan-2-yl)phosphanium;manganese(3+);methanone (PubChem CID 153284875) has the molecular formula C22H40MnNO3P2+2 and a molecular weight of 483.45 g/mol. Its IUPAC name is [6-[di(propan-2-yl)phosphaniumylmethyl]-2-pyridinyl]methyl-di(propan-2-yl)phosphanium;manganese(3+);methanone.

Molecular Properties

• Compound Name: [6-[di(propan-2-yl)phosphaniumylmethyl]-2-pyridinyl]methyl-di(propan-2-yl)phosphanium;manganese(3+);methanone
• PubChem CID: 153284875
• Molecular Formula: C22H40MnNO3P2+2
• Molecular Weight: 483.45 g/mol
• Exact Mass: 483.19
• IUPAC Name: [6-[di(propan-2-yl)phosphaniumylmethyl]-2-pyridinyl]methyl-di(propan-2-yl)phosphanium;manganese(3+);methanone
• SMILES: CC(C)[PH+](Cc1cccc(C[PH+](C(C)C)C(C)C)n1)C(C)C.[CH-]=O.[CH-]=O.[CH-]=O.[Mn+3]
• InChI: InChI=1S/C19H35NP2.3CHO.Mn/c1-14(2)21(15(3)4)12-18-10-9-11-19(20-18)13-22(16(5)6)17(7)8;3*1-2;/h9-11,14-17H,12-13H2,1-8H3;3*1H;/q;3*-1;+3/p+2
• InChIKey: XJSUJMDXMIMALE-UHFFFAOYSA-P
• XLogP: 5.32
• TPSA: 64.10 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.45
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [6-[di(propan-2-yl)phosphaniumylmethyl]-2-pyridinyl]methyl-di(propan-2-yl)phosphanium;manganese(3+);methanone?

The IUPAC name of [6-[di(propan-2-yl)phosphaniumylmethyl]-2-pyridinyl]methyl-di(propan-2-yl)phosphanium;manganese(3+);methanone (CID 153284875) is [6-[di(propan-2-yl)phosphaniumylmethyl]-2-pyridinyl]methyl-di(propan-2-yl)phosphanium;manganese(3+);methanone.

What is the SMILES notation for [6-[di(propan-2-yl)phosphaniumylmethyl]-2-pyridinyl]methyl-di(propan-2-yl)phosphanium;manganese(3+);methanone?

The canonical SMILES for [6-[di(propan-2-yl)phosphaniumylmethyl]-2-pyridinyl]methyl-di(propan-2-yl)phosphanium;manganese(3+);methanone is CC(C)[PH+](Cc1cccc(C[PH+](C(C)C)C(C)C)n1)C(C)C.[CH-]=O.[CH-]=O.[CH-]=O.[Mn+3].

What is the InChIKey of [6-[di(propan-2-yl)phosphaniumylmethyl]-2-pyridinyl]methyl-di(propan-2-yl)phosphanium;manganese(3+);methanone?

The InChIKey is XJSUJMDXMIMALE-UHFFFAOYSA-P. The full InChI is InChI=1S/C19H35NP2.3CHO.Mn/c1-14(2)21(15(3)4)12-18-10-9-11-19(20-18)13-22(16(5)6)17(7)8;3*1-2;/h9-11,14-17H,12-13H2,1-8H3;3*1H;/q;3*-1;+3/p+2.

What are the key properties of [6-[di(propan-2-yl)phosphaniumylmethyl]-2-pyridinyl]methyl-di(propan-2-yl)phosphanium;manganese(3+);methanone?

[6-[di(propan-2-yl)phosphaniumylmethyl]-2-pyridinyl]methyl-di(propan-2-yl)phosphanium;manganese(3+);methanone has a molecular weight of 483.45 g/mol, XLogP of 5.32, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[di(propan-2-yl)phosphaniumylmethyl]-2-pyridinyl]methyl-di(propan-2-yl)phosphanium;manganese(3+);methanone is sourced from PubChem (CID 153284875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).