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

C32H80BF4N10P3 — CID 22336012

IUPACbis(diethylamino)-bis[[tris(diethylamino)-λ5-phosphanylidene]amino]phosphanium tetrafluoroborate
SMILESCCN(CC)P(=N[P+](N=P(N(CC)CC)(N(CC)CC)N(CC)CC)(N(CC)CC)N(CC)CC)(N(CC)CC)N(CC)CC.F[B-](F)(F)F
InChIInChI=1S/C32H80N10P3.BF4/c1-17-35(18-2)43(36(19-3)20-4,33-44(37(21-5)22-6,38(23-7)24-8)39(25-9)26-10)34-45(40(27-11)28-12,41(29-13)30-14)42(31-15)32-16;2-1(3,4)5/h17-32H2,1-16H3;/q+1;-1
InChIKeyCQUWBDYSEUBASV-UHFFFAOYSA-N
MW784.79 g/mol
LogP10.59
Rot. Bonds26

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

bis(diethylamino)-bis[[tris(diethylamino)-λ5-phosphanylidene]amino]phosphanium tetrafluoroborate (PubChem CID 22336012) has the molecular formula C32H80BF4N10P3 and a molecular weight of 784.79 g/mol. Its IUPAC name is bis(diethylamino)-bis[[tris(diethylamino)-λ5-phosphanylidene]amino]phosphanium tetrafluoroborate.

Molecular Properties

Compound Namebis(diethylamino)-bis[[tris(diethylamino)-λ5-phosphanylidene]amino]phosphanium tetrafluoroborate
PubChem CID22336012
Molecular FormulaC32H80BF4N10P3
Molecular Weight784.79 g/mol
Exact Mass784.58
IUPAC Namebis(diethylamino)-bis[[tris(diethylamino)-λ5-phosphanylidene]amino]phosphanium tetrafluoroborate
SMILESCCN(CC)P(=N[P+](N=P(N(CC)CC)(N(CC)CC)N(CC)CC)(N(CC)CC)N(CC)CC)(N(CC)CC)N(CC)CC.F[B-](F)(F)F
InChIInChI=1S/C32H80N10P3.BF4/c1-17-35(18-2)43(36(19-3)20-4,33-44(37(21-5)22-6,38(23-7)24-8)39(25-9)26-10)34-45(40(27-11)28-12,41(29-13)30-14)42(31-15)32-16;2-1(3,4)5/h17-32H2,1-16H3;/q+1;-1
InChIKeyCQUWBDYSEUBASV-UHFFFAOYSA-N
XLogP10.59
TPSA50.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500784.79
LogP ≤ 510.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(diethylamino)-bis[[tris(diethylamino)-λ5-phosphanylidene]amino]phosphanium tetrafluoroborate?
The IUPAC name of bis(diethylamino)-bis[[tris(diethylamino)-λ5-phosphanylidene]amino]phosphanium tetrafluoroborate (CID 22336012) is bis(diethylamino)-bis[[tris(diethylamino)-λ5-phosphanylidene]amino]phosphanium tetrafluoroborate.
What is the SMILES notation for bis(diethylamino)-bis[[tris(diethylamino)-λ5-phosphanylidene]amino]phosphanium tetrafluoroborate?
The canonical SMILES for bis(diethylamino)-bis[[tris(diethylamino)-λ5-phosphanylidene]amino]phosphanium tetrafluoroborate is CCN(CC)P(=N[P+](N=P(N(CC)CC)(N(CC)CC)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 bis(diethylamino)-bis[[tris(diethylamino)-λ5-phosphanylidene]amino]phosphanium tetrafluoroborate?
The InChIKey is CQUWBDYSEUBASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H80N10P3.BF4/c1-17-35(18-2)43(36(19-3)20-4,33-44(37(21-5)22-6,38(23-7)24-8)39(25-9)26-10)34-45(40(27-11)28-12,41(29-13)30-14)42(31-15)32-16;2-1(3,4)5/h17-32H2,1-16H3;/q+1;-1.
What are the key properties of bis(diethylamino)-bis[[tris(diethylamino)-λ5-phosphanylidene]amino]phosphanium tetrafluoroborate?
bis(diethylamino)-bis[[tris(diethylamino)-λ5-phosphanylidene]amino]phosphanium tetrafluoroborate has a molecular weight of 784.79 g/mol, XLogP of 10.59, 26 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(diethylamino)-bis[[tris(diethylamino)-λ5-phosphanylidene]amino]phosphanium tetrafluoroborate is sourced from PubChem (CID 22336012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).