dimethylamino(triphenyl)phosphanium bromide

C20H21BrNP — CID 19612235

IUPACdimethylamino(triphenyl)phosphanium bromide
SMILESCN(C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C20H21NP.BrH/c1-21(2)22(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;/h3-17H,1-2H3;1H/q+1;/p-1
InChIKeyKHVAOAQBEIQFBX-UHFFFAOYSA-M
MW386.27 g/mol
LogP0.46
Rot. Bonds4

About dimethylamino(triphenyl)phosphanium bromide

dimethylamino(triphenyl)phosphanium bromide (PubChem CID 19612235) has the molecular formula C20H21BrNP and a molecular weight of 386.27 g/mol. Its IUPAC name is dimethylamino(triphenyl)phosphanium bromide.

Molecular Properties

Compound Namedimethylamino(triphenyl)phosphanium bromide
PubChem CID19612235
Molecular FormulaC20H21BrNP
Molecular Weight386.27 g/mol
Exact Mass385.06
IUPAC Namedimethylamino(triphenyl)phosphanium bromide
SMILESCN(C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C20H21NP.BrH/c1-21(2)22(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;/h3-17H,1-2H3;1H/q+1;/p-1
InChIKeyKHVAOAQBEIQFBX-UHFFFAOYSA-M
XLogP0.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.27
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Triphenylphosphine
CID 11776
Methyltriphenyliphosphonium bromide
CID 74505
Butyltriphenylphosphonium bromide
CID 159628
Phosphonium, ethyltriphenyl-, bromide (1:1)
CID 73727
Tetraphenylphosphonium Bromide
CID 2724163
Allyltriphenylphosphonium bromide
CID 197740
Ethyltriphenylphosphonium iodide
CID 78474
Triphenylmethylphosphonium Bromide
CID 621706
Propyltriphenylphosphonium bromide
CID 80374
Triphenylvinylphosphonium bromide
CID 2723893
Phosphonium, hexyltriphenyl-, bromide (1:1)
CID 2724569
Triphenylphosphine dibromide
CID 70579

Frequently Asked Questions

What is the IUPAC name of dimethylamino(triphenyl)phosphanium bromide?
The IUPAC name of dimethylamino(triphenyl)phosphanium bromide (CID 19612235) is dimethylamino(triphenyl)phosphanium bromide.
What is the SMILES notation for dimethylamino(triphenyl)phosphanium bromide?
The canonical SMILES for dimethylamino(triphenyl)phosphanium bromide is CN(C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of dimethylamino(triphenyl)phosphanium bromide?
The InChIKey is KHVAOAQBEIQFBX-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H21NP.BrH/c1-21(2)22(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;/h3-17H,1-2H3;1H/q+1;/p-1.
What are the key properties of dimethylamino(triphenyl)phosphanium bromide?
dimethylamino(triphenyl)phosphanium bromide has a molecular weight of 386.27 g/mol, XLogP of 0.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino(triphenyl)phosphanium bromide is sourced from PubChem (CID 19612235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).