[bis(dimethylamino)phosphanyl-(dimethylamino)amino]-tris(dimethylamino)phosphanium

C12H36N7P2+ — CID 87135310

IUPAC[bis(dimethylamino)phosphanyl-(dimethylamino)amino]-tris(dimethylamino)phosphanium
SMILESCN(C)N(P(N(C)C)N(C)C)[P+](N(C)C)(N(C)C)N(C)C
InChIInChI=1S/C12H36N7P2/c1-13(2)19(20(14(3)4)15(5)6)21(16(7)8,17(9)10)18(11)12/h1-12H3/q+1
InChIKeyZSZILASRSXFVFD-UHFFFAOYSA-N
MW340.42 g/mol
LogP1.48
Rot. Bonds8

About [bis(dimethylamino)phosphanyl-(dimethylamino)amino]-tris(dimethylamino)phosphanium

[bis(dimethylamino)phosphanyl-(dimethylamino)amino]-tris(dimethylamino)phosphanium (PubChem CID 87135310) has the molecular formula C12H36N7P2+ and a molecular weight of 340.42 g/mol. Its IUPAC name is [bis(dimethylamino)phosphanyl-(dimethylamino)amino]-tris(dimethylamino)phosphanium.

Molecular Properties

Compound Name[bis(dimethylamino)phosphanyl-(dimethylamino)amino]-tris(dimethylamino)phosphanium
PubChem CID87135310
Molecular FormulaC12H36N7P2+
Molecular Weight340.42 g/mol
Exact Mass340.25
IUPAC Name[bis(dimethylamino)phosphanyl-(dimethylamino)amino]-tris(dimethylamino)phosphanium
SMILESCN(C)N(P(N(C)C)N(C)C)[P+](N(C)C)(N(C)C)N(C)C
InChIInChI=1S/C12H36N7P2/c1-13(2)19(20(14(3)4)15(5)6)21(16(7)8,17(9)10)18(11)12/h1-12H3/q+1
InChIKeyZSZILASRSXFVFD-UHFFFAOYSA-N
XLogP1.48
TPSA22.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [bis(dimethylamino)phosphanyl-(dimethylamino)amino]-tris(dimethylamino)phosphanium?
The IUPAC name of [bis(dimethylamino)phosphanyl-(dimethylamino)amino]-tris(dimethylamino)phosphanium (CID 87135310) is [bis(dimethylamino)phosphanyl-(dimethylamino)amino]-tris(dimethylamino)phosphanium.
What is the SMILES notation for [bis(dimethylamino)phosphanyl-(dimethylamino)amino]-tris(dimethylamino)phosphanium?
The canonical SMILES for [bis(dimethylamino)phosphanyl-(dimethylamino)amino]-tris(dimethylamino)phosphanium is CN(C)N(P(N(C)C)N(C)C)[P+](N(C)C)(N(C)C)N(C)C.
What is the InChIKey of [bis(dimethylamino)phosphanyl-(dimethylamino)amino]-tris(dimethylamino)phosphanium?
The InChIKey is ZSZILASRSXFVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H36N7P2/c1-13(2)19(20(14(3)4)15(5)6)21(16(7)8,17(9)10)18(11)12/h1-12H3/q+1.
What are the key properties of [bis(dimethylamino)phosphanyl-(dimethylamino)amino]-tris(dimethylamino)phosphanium?
[bis(dimethylamino)phosphanyl-(dimethylamino)amino]-tris(dimethylamino)phosphanium has a molecular weight of 340.42 g/mol, XLogP of 1.48, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(dimethylamino)phosphanyl-(dimethylamino)amino]-tris(dimethylamino)phosphanium is sourced from PubChem (CID 87135310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).