dimethylamino-tris[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium;ethanolate

C22H65N13OP4 — CID 18413339

IUPACdimethylamino-tris[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium;ethanolate
SMILESCC[O-].CN(C)P(=N[P+](N=P(N(C)C)(N(C)C)N(C)C)(N=P(N(C)C)(N(C)C)N(C)C)N(C)C)(N(C)C)N(C)C
InChIInChI=1S/C20H60N13P4.C2H5O/c1-24(2)34(21-35(25(3)4,26(5)6)27(7)8,22-36(28(9)10,29(11)12)30(13)14)23-37(31(15)16,32(17)18)33(19)20;1-2-3/h1-20H3;2H2,1H3/q+1;-1
InChIKeyAHUHNCUWPHSVMV-UHFFFAOYSA-N
MW651.75 g/mol
LogP3.49
Rot. Bonds13

About dimethylamino-tris[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium;ethanolate

dimethylamino-tris[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium;ethanolate (PubChem CID 18413339) has the molecular formula C22H65N13OP4 and a molecular weight of 651.75 g/mol. Its IUPAC name is dimethylamino-tris[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium;ethanolate.

Molecular Properties

Compound Namedimethylamino-tris[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium;ethanolate
PubChem CID18413339
Molecular FormulaC22H65N13OP4
Molecular Weight651.75 g/mol
Exact Mass651.44
IUPAC Namedimethylamino-tris[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium;ethanolate
SMILESCC[O-].CN(C)P(=N[P+](N=P(N(C)C)(N(C)C)N(C)C)(N=P(N(C)C)(N(C)C)N(C)C)N(C)C)(N(C)C)N(C)C
InChIInChI=1S/C20H60N13P4.C2H5O/c1-24(2)34(21-35(25(3)4,26(5)6)27(7)8,22-36(28(9)10,29(11)12)30(13)14)23-37(31(15)16,32(17)18)33(19)20;1-2-3/h1-20H3;2H2,1H3/q+1;-1
InChIKeyAHUHNCUWPHSVMV-UHFFFAOYSA-N
XLogP3.49
TPSA92.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500651.75
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethylamino-tris[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium;ethanolate?
The IUPAC name of dimethylamino-tris[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium;ethanolate (CID 18413339) is dimethylamino-tris[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium;ethanolate.
What is the SMILES notation for dimethylamino-tris[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium;ethanolate?
The canonical SMILES for dimethylamino-tris[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium;ethanolate is CC[O-].CN(C)P(=N[P+](N=P(N(C)C)(N(C)C)N(C)C)(N=P(N(C)C)(N(C)C)N(C)C)N(C)C)(N(C)C)N(C)C.
What is the InChIKey of dimethylamino-tris[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium;ethanolate?
The InChIKey is AHUHNCUWPHSVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H60N13P4.C2H5O/c1-24(2)34(21-35(25(3)4,26(5)6)27(7)8,22-36(28(9)10,29(11)12)30(13)14)23-37(31(15)16,32(17)18)33(19)20;1-2-3/h1-20H3;2H2,1H3/q+1;-1.
What are the key properties of dimethylamino-tris[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium;ethanolate?
dimethylamino-tris[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium;ethanolate has a molecular weight of 651.75 g/mol, XLogP of 3.49, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino-tris[[tris(dimethylamino)-λ5-phosphanylidene]amino]phosphanium;ethanolate is sourced from PubChem (CID 18413339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).