bis[[tris(diethylamino)-lambda5-phosphanylidene]amino]phosphanium tetrafluoroborate

C24H62BF4N8P3 — CID 13303697

IUPACbis[[tris(diethylamino)-lambda5-phosphanylidene]amino]phosphanium tetrafluoroborate
SMILESCCN(CC)P(=N[PH2+]N=P(N(CC)CC)(N(CC)CC)N(CC)CC)(N(CC)CC)N(CC)CC.F[B-](F)(F)F
InChIInChI=1S/C24H61N8P3.BF4/c1-13-27(14-2)34(28(15-3)16-4,29(17-5)18-6)25-33-26-35(30(19-7)20-8,31(21-9)22-10)32(23-11)24-12;2-1(3,4)5/h33H,13-24H2,1-12H3;/q;-1/p+1
InChIKeyDUOPOMPGCLSKGT-UHFFFAOYSA-O
MW642.54 g/mol
LogP8.47
Rot. Bonds20

About bis[[tris(diethylamino)-lambda5-phosphanylidene]amino]phosphanium tetrafluoroborate

bis[[tris(diethylamino)-lambda5-phosphanylidene]amino]phosphanium tetrafluoroborate (PubChem CID 13303697) has the molecular formula C24H62BF4N8P3 and a molecular weight of 642.54 g/mol. Its IUPAC name is bis[[tris(diethylamino)-lambda5-phosphanylidene]amino]phosphanium tetrafluoroborate.

Molecular Properties

Compound Namebis[[tris(diethylamino)-lambda5-phosphanylidene]amino]phosphanium tetrafluoroborate
PubChem CID13303697
Molecular FormulaC24H62BF4N8P3
Molecular Weight642.54 g/mol
Exact Mass642.43
IUPAC Namebis[[tris(diethylamino)-lambda5-phosphanylidene]amino]phosphanium tetrafluoroborate
SMILESCCN(CC)P(=N[PH2+]N=P(N(CC)CC)(N(CC)CC)N(CC)CC)(N(CC)CC)N(CC)CC.F[B-](F)(F)F
InChIInChI=1S/C24H61N8P3.BF4/c1-13-27(14-2)34(28(15-3)16-4,29(17-5)18-6)25-33-26-35(30(19-7)20-8,31(21-9)22-10)32(23-11)24-12;2-1(3,4)5/h33H,13-24H2,1-12H3;/q;-1/p+1
InChIKeyDUOPOMPGCLSKGT-UHFFFAOYSA-O
XLogP8.47
TPSA44.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.54
LogP ≤ 58.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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[[tris(diethylamino)-lambda5-phosphanylidene]amino]phosphanium tetrafluoroborate?
The IUPAC name of bis[[tris(diethylamino)-lambda5-phosphanylidene]amino]phosphanium tetrafluoroborate (CID 13303697) is bis[[tris(diethylamino)-lambda5-phosphanylidene]amino]phosphanium tetrafluoroborate.
What is the SMILES notation for bis[[tris(diethylamino)-lambda5-phosphanylidene]amino]phosphanium tetrafluoroborate?
The canonical SMILES for bis[[tris(diethylamino)-lambda5-phosphanylidene]amino]phosphanium tetrafluoroborate is CCN(CC)P(=N[PH2+]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 bis[[tris(diethylamino)-lambda5-phosphanylidene]amino]phosphanium tetrafluoroborate?
The InChIKey is DUOPOMPGCLSKGT-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H61N8P3.BF4/c1-13-27(14-2)34(28(15-3)16-4,29(17-5)18-6)25-33-26-35(30(19-7)20-8,31(21-9)22-10)32(23-11)24-12;2-1(3,4)5/h33H,13-24H2,1-12H3;/q;-1/p+1.
What are the key properties of bis[[tris(diethylamino)-lambda5-phosphanylidene]amino]phosphanium tetrafluoroborate?
bis[[tris(diethylamino)-lambda5-phosphanylidene]amino]phosphanium tetrafluoroborate has a molecular weight of 642.54 g/mol, XLogP of 8.47, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[tris(diethylamino)-lambda5-phosphanylidene]amino]phosphanium tetrafluoroborate is sourced from PubChem (CID 13303697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).