bis(tris(diethylamino)-(dimethylamino)phosphanium);bromide;chloride

C28H72BrClN8P2 — CID 158223933

IUPACbis(tris(diethylamino)-(dimethylamino)phosphanium);bromide;chloride
SMILESCCN(CC)[P+](N(C)C)(N(CC)CC)N(CC)CC.CCN(CC)[P+](N(C)C)(N(CC)CC)N(CC)CC.[Br-].[Cl-]
InChIInChI=1S/2C14H36N4P.BrH.ClH/c2*1-9-16(10-2)19(15(7)8,17(11-3)12-4)18(13-5)14-6;;/h2*9-14H2,1-8H3;2*1H/q2*+1;;/p-2
InChIKeyGDOOYYPVOYDRFB-UHFFFAOYSA-L
MW698.25 g/mol
LogP0.51
Rot. Bonds20

About bis(tris(diethylamino)-(dimethylamino)phosphanium);bromide;chloride

bis(tris(diethylamino)-(dimethylamino)phosphanium);bromide;chloride (PubChem CID 158223933) has the molecular formula C28H72BrClN8P2 and a molecular weight of 698.25 g/mol. Its IUPAC name is bis(tris(diethylamino)-(dimethylamino)phosphanium);bromide;chloride.

Molecular Properties

Compound Namebis(tris(diethylamino)-(dimethylamino)phosphanium);bromide;chloride
PubChem CID158223933
Molecular FormulaC28H72BrClN8P2
Molecular Weight698.25 g/mol
Exact Mass696.42
IUPAC Namebis(tris(diethylamino)-(dimethylamino)phosphanium);bromide;chloride
SMILESCCN(CC)[P+](N(C)C)(N(CC)CC)N(CC)CC.CCN(CC)[P+](N(C)C)(N(CC)CC)N(CC)CC.[Br-].[Cl-]
InChIInChI=1S/2C14H36N4P.BrH.ClH/c2*1-9-16(10-2)19(15(7)8,17(11-3)12-4)18(13-5)14-6;;/h2*9-14H2,1-8H3;2*1H/q2*+1;;/p-2
InChIKeyGDOOYYPVOYDRFB-UHFFFAOYSA-L
XLogP0.51
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500698.25
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(tris(diethylamino)-(dimethylamino)phosphanium);bromide;chloride?
The IUPAC name of bis(tris(diethylamino)-(dimethylamino)phosphanium);bromide;chloride (CID 158223933) is bis(tris(diethylamino)-(dimethylamino)phosphanium);bromide;chloride.
What is the SMILES notation for bis(tris(diethylamino)-(dimethylamino)phosphanium);bromide;chloride?
The canonical SMILES for bis(tris(diethylamino)-(dimethylamino)phosphanium);bromide;chloride is CCN(CC)[P+](N(C)C)(N(CC)CC)N(CC)CC.CCN(CC)[P+](N(C)C)(N(CC)CC)N(CC)CC.[Br-].[Cl-].
What is the InChIKey of bis(tris(diethylamino)-(dimethylamino)phosphanium);bromide;chloride?
The InChIKey is GDOOYYPVOYDRFB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C14H36N4P.BrH.ClH/c2*1-9-16(10-2)19(15(7)8,17(11-3)12-4)18(13-5)14-6;;/h2*9-14H2,1-8H3;2*1H/q2*+1;;/p-2.
What are the key properties of bis(tris(diethylamino)-(dimethylamino)phosphanium);bromide;chloride?
bis(tris(diethylamino)-(dimethylamino)phosphanium);bromide;chloride has a molecular weight of 698.25 g/mol, XLogP of 0.51, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(tris(diethylamino)-(dimethylamino)phosphanium);bromide;chloride is sourced from PubChem (CID 158223933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).