triphenyl-[(triphenyl-lambda5-phosphanylidene)amino]phosphanium chloride

C36H30ClNP2 — CID 3036656

IUPACtriphenyl-[(triphenyl-lambda5-phosphanylidene)amino]phosphanium chloride
SMILES[Cl-].c1ccc(P(=N[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C36H30NP2.ClH/c1-7-19-31(20-8-1)38(32-21-9-2-10-22-32,33-23-11-3-12-24-33)37-39(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36;/h1-30H;1H/q+1;/p-1
InChIKeyLVRCYPYRKNAAMX-UHFFFAOYSA-M
MW574.04 g/mol
LogP4.08
Rot. Bonds7

About triphenyl-[(triphenyl-lambda5-phosphanylidene)amino]phosphanium chloride

triphenyl-[(triphenyl-lambda5-phosphanylidene)amino]phosphanium chloride (PubChem CID 3036656) has the molecular formula C36H30ClNP2 and a molecular weight of 574.04 g/mol. Its IUPAC name is triphenyl-[(triphenyl-lambda5-phosphanylidene)amino]phosphanium chloride.

Molecular Properties

Compound Nametriphenyl-[(triphenyl-lambda5-phosphanylidene)amino]phosphanium chloride
PubChem CID3036656
Molecular FormulaC36H30ClNP2
Molecular Weight574.04 g/mol
Exact Mass573.15
IUPAC Nametriphenyl-[(triphenyl-lambda5-phosphanylidene)amino]phosphanium chloride
SMILES[Cl-].c1ccc(P(=N[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C36H30NP2.ClH/c1-7-19-31(20-8-1)38(32-21-9-2-10-22-32,33-23-11-3-12-24-33)37-39(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36;/h1-30H;1H/q+1;/p-1
InChIKeyLVRCYPYRKNAAMX-UHFFFAOYSA-M
XLogP4.08
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.04
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triphenyl-[(triphenyl-lambda5-phosphanylidene)amino]phosphanium chloride?
The IUPAC name of triphenyl-[(triphenyl-lambda5-phosphanylidene)amino]phosphanium chloride (CID 3036656) is triphenyl-[(triphenyl-lambda5-phosphanylidene)amino]phosphanium chloride.
What is the SMILES notation for triphenyl-[(triphenyl-lambda5-phosphanylidene)amino]phosphanium chloride?
The canonical SMILES for triphenyl-[(triphenyl-lambda5-phosphanylidene)amino]phosphanium chloride is [Cl-].c1ccc(P(=N[P+](c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl-[(triphenyl-lambda5-phosphanylidene)amino]phosphanium chloride?
The InChIKey is LVRCYPYRKNAAMX-UHFFFAOYSA-M. The full InChI is InChI=1S/C36H30NP2.ClH/c1-7-19-31(20-8-1)38(32-21-9-2-10-22-32,33-23-11-3-12-24-33)37-39(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36;/h1-30H;1H/q+1;/p-1.
What are the key properties of triphenyl-[(triphenyl-lambda5-phosphanylidene)amino]phosphanium chloride?
triphenyl-[(triphenyl-lambda5-phosphanylidene)amino]phosphanium chloride has a molecular weight of 574.04 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[(triphenyl-lambda5-phosphanylidene)amino]phosphanium chloride is sourced from PubChem (CID 3036656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).