bis(N-[bis(diethylamino)-methylidene-λ5-phosphanyl]-N-ethylethanamine);tetrachloromethane;tris(diethylamino)-methylphosphanium

C40H97Cl4N9P3+ — CID 54312217

About bis(N-[bis(diethylamino)-methylidene-λ5-phosphanyl]-N-ethylethanamine);tetrachloromethane;tris(diethylamino)-methylphosphanium

bis(N-[bis(diethylamino)-methylidene-λ5-phosphanyl]-N-ethylethanamine);tetrachloromethane;tris(diethylamino)-methylphosphanium (PubChem CID 54312217) has the molecular formula C40H97Cl4N9P3+ and a molecular weight of 939.01 g/mol. Its IUPAC name is bis(N-[bis(diethylamino)-methylidene-λ5-phosphanyl]-N-ethylethanamine);tetrachloromethane;tris(diethylamino)-methylphosphanium.

Molecular Properties

• Compound Name: bis(N-[bis(diethylamino)-methylidene-λ5-phosphanyl]-N-ethylethanamine);tetrachloromethane;tris(diethylamino)-methylphosphanium
• PubChem CID: 54312217
• Molecular Formula: C40H97Cl4N9P3+
• Molecular Weight: 939.01 g/mol
• Exact Mass: 936.58
• IUPAC Name: bis(N-[bis(diethylamino)-methylidene-λ5-phosphanyl]-N-ethylethanamine);tetrachloromethane;tris(diethylamino)-methylphosphanium
• SMILES: C=P(N(CC)CC)(N(CC)CC)N(CC)CC.C=P(N(CC)CC)(N(CC)CC)N(CC)CC.CCN(CC)[P+](C)(N(CC)CC)N(CC)CC.ClC(Cl)(Cl)Cl
• InChI: InChI=1S/C13H33N3P.2C13H32N3P.CCl4/c3*1-8-14(9-2)17(7,15(10-3)11-4)16(12-5)13-6;2-1(3,4)5/h8-13H2,1-7H3;2*7-13H2,1-6H3;/q+1
• InChIKey: ZKPWRVKFGZGNBR-UHFFFAOYSA-N
• XLogP: 12.37
• TPSA: 29.16 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 27
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	939.01
LogP ≤ 5	12.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(N-[bis(diethylamino)-methylidene-λ5-phosphanyl]-N-ethylethanamine);tetrachloromethane;tris(diethylamino)-methylphosphanium?

The IUPAC name of bis(N-[bis(diethylamino)-methylidene-λ5-phosphanyl]-N-ethylethanamine);tetrachloromethane;tris(diethylamino)-methylphosphanium (CID 54312217) is bis(N-[bis(diethylamino)-methylidene-λ5-phosphanyl]-N-ethylethanamine);tetrachloromethane;tris(diethylamino)-methylphosphanium.

What is the SMILES notation for bis(N-[bis(diethylamino)-methylidene-λ5-phosphanyl]-N-ethylethanamine);tetrachloromethane;tris(diethylamino)-methylphosphanium?

The canonical SMILES for bis(N-[bis(diethylamino)-methylidene-λ5-phosphanyl]-N-ethylethanamine);tetrachloromethane;tris(diethylamino)-methylphosphanium is C=P(N(CC)CC)(N(CC)CC)N(CC)CC.C=P(N(CC)CC)(N(CC)CC)N(CC)CC.CCN(CC)[P+](C)(N(CC)CC)N(CC)CC.ClC(Cl)(Cl)Cl.

What is the InChIKey of bis(N-[bis(diethylamino)-methylidene-λ5-phosphanyl]-N-ethylethanamine);tetrachloromethane;tris(diethylamino)-methylphosphanium?

The InChIKey is ZKPWRVKFGZGNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H33N3P.2C13H32N3P.CCl4/c3*1-8-14(9-2)17(7,15(10-3)11-4)16(12-5)13-6;2-1(3,4)5/h8-13H2,1-7H3;2*7-13H2,1-6H3;/q+1;;;.

What are the key properties of bis(N-[bis(diethylamino)-methylidene-λ5-phosphanyl]-N-ethylethanamine);tetrachloromethane;tris(diethylamino)-methylphosphanium?

bis(N-[bis(diethylamino)-methylidene-λ5-phosphanyl]-N-ethylethanamine);tetrachloromethane;tris(diethylamino)-methylphosphanium has a molecular weight of 939.01 g/mol, XLogP of 12.37, 27 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for bis(N-[bis(diethylamino)-methylidene-λ5-phosphanyl]-N-ethylethanamine);tetrachloromethane;tris(diethylamino)-methylphosphanium is sourced from PubChem (CID 54312217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).