amino-tris[[tris(diethylamino)-λ5-phosphanylidene]amino]phosphanium tetrafluoroborate

C36H92BF4N13P4 — CID 141119117

IUPACamino-tris[[tris(diethylamino)-λ5-phosphanylidene]amino]phosphanium tetrafluoroborate
SMILESCCN(CC)P(=N[P+](N)(N=P(N(CC)CC)(N(CC)CC)N(CC)CC)N=P(N(CC)CC)(N(CC)CC)N(CC)CC)(N(CC)CC)N(CC)CC.F[B-](F)(F)F
InChIInChI=1S/C36H92N13P4.BF4/c1-19-41(20-2)51(42(21-3)22-4,43(23-5)24-6)38-50(37,39-52(44(25-7)26-8,45(27-9)28-10)46(29-11)30-12)40-53(47(31-13)32-14,48(33-15)34-16)49(35-17)36-18;2-1(3,4)5/h19-37H2,1-18H3;/q+1;-1
InChIKeyARBOZIXGFWOYDL-UHFFFAOYSA-N
MW917.92 g/mol
LogP11.84
Rot. Bonds30

About amino-tris[[tris(diethylamino)-λ5-phosphanylidene]amino]phosphanium tetrafluoroborate

amino-tris[[tris(diethylamino)-λ5-phosphanylidene]amino]phosphanium tetrafluoroborate (PubChem CID 141119117) has the molecular formula C36H92BF4N13P4 and a molecular weight of 917.92 g/mol. Its IUPAC name is amino-tris[[tris(diethylamino)-λ5-phosphanylidene]amino]phosphanium tetrafluoroborate.

Molecular Properties

Compound Nameamino-tris[[tris(diethylamino)-λ5-phosphanylidene]amino]phosphanium tetrafluoroborate
PubChem CID141119117
Molecular FormulaC36H92BF4N13P4
Molecular Weight917.92 g/mol
Exact Mass917.66
IUPAC Nameamino-tris[[tris(diethylamino)-λ5-phosphanylidene]amino]phosphanium tetrafluoroborate
SMILESCCN(CC)P(=N[P+](N)(N=P(N(CC)CC)(N(CC)CC)N(CC)CC)N=P(N(CC)CC)(N(CC)CC)N(CC)CC)(N(CC)CC)N(CC)CC.F[B-](F)(F)F
InChIInChI=1S/C36H92N13P4.BF4/c1-19-41(20-2)51(42(21-3)22-4,43(23-5)24-6)38-50(37,39-52(44(25-7)26-8,45(27-9)28-10)46(29-11)30-12)40-53(47(31-13)32-14,48(33-15)34-16)49(35-17)36-18;2-1(3,4)5/h19-37H2,1-18H3;/q+1;-1
InChIKeyARBOZIXGFWOYDL-UHFFFAOYSA-N
XLogP11.84
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds30
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500917.92
LogP ≤ 511.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze amino-tris[[tris(diethylamino)-λ5-phosphanylidene]amino]phosphanium tetrafluoroborate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of amino-tris[[tris(diethylamino)-λ5-phosphanylidene]amino]phosphanium tetrafluoroborate?
The IUPAC name of amino-tris[[tris(diethylamino)-λ5-phosphanylidene]amino]phosphanium tetrafluoroborate (CID 141119117) is amino-tris[[tris(diethylamino)-λ5-phosphanylidene]amino]phosphanium tetrafluoroborate.
What is the SMILES notation for amino-tris[[tris(diethylamino)-λ5-phosphanylidene]amino]phosphanium tetrafluoroborate?
The canonical SMILES for amino-tris[[tris(diethylamino)-λ5-phosphanylidene]amino]phosphanium tetrafluoroborate is CCN(CC)P(=N[P+](N)(N=P(N(CC)CC)(N(CC)CC)N(CC)CC)N=P(N(CC)CC)(N(CC)CC)N(CC)CC)(N(CC)CC)N(CC)CC.F[B-](F)(F)F.
What is the InChIKey of amino-tris[[tris(diethylamino)-λ5-phosphanylidene]amino]phosphanium tetrafluoroborate?
The InChIKey is ARBOZIXGFWOYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H92N13P4.BF4/c1-19-41(20-2)51(42(21-3)22-4,43(23-5)24-6)38-50(37,39-52(44(25-7)26-8,45(27-9)28-10)46(29-11)30-12)40-53(47(31-13)32-14,48(33-15)34-16)49(35-17)36-18;2-1(3,4)5/h19-37H2,1-18H3;/q+1;-1.
What are the key properties of amino-tris[[tris(diethylamino)-λ5-phosphanylidene]amino]phosphanium tetrafluoroborate?
amino-tris[[tris(diethylamino)-λ5-phosphanylidene]amino]phosphanium tetrafluoroborate has a molecular weight of 917.92 g/mol, XLogP of 11.84, 30 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino-tris[[tris(diethylamino)-λ5-phosphanylidene]amino]phosphanium tetrafluoroborate is sourced from PubChem (CID 141119117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).