(4-diphenylphosphanylphenyl)methyl-trimethylazanium bromide

C22H25BrNP — CID 71665271

IUPAC(4-diphenylphosphanylphenyl)methyl-trimethylazanium bromide
SMILESC[N+](C)(C)Cc1ccc(P(c2ccccc2)c2ccccc2)cc1.[Br-]
InChIInChI=1S/C22H25NP.BrH/c1-23(2,3)18-19-14-16-22(17-15-19)24(20-10-6-4-7-11-20)21-12-8-5-9-13-21;/h4-17H,18H2,1-3H3;1H/q+1;/p-1
InChIKeySCOPNFOKKTUMIX-UHFFFAOYSA-M
MW414.33 g/mol
LogP0.65
Rot. Bonds5

About (4-diphenylphosphanylphenyl)methyl-trimethylazanium bromide

(4-diphenylphosphanylphenyl)methyl-trimethylazanium bromide (PubChem CID 71665271) has the molecular formula C22H25BrNP and a molecular weight of 414.33 g/mol. Its IUPAC name is (4-diphenylphosphanylphenyl)methyl-trimethylazanium bromide.

Molecular Properties

Compound Name(4-diphenylphosphanylphenyl)methyl-trimethylazanium bromide
PubChem CID71665271
Molecular FormulaC22H25BrNP
Molecular Weight414.33 g/mol
Exact Mass413.09
IUPAC Name(4-diphenylphosphanylphenyl)methyl-trimethylazanium bromide
SMILESC[N+](C)(C)Cc1ccc(P(c2ccccc2)c2ccccc2)cc1.[Br-]
InChIInChI=1S/C22H25NP.BrH/c1-23(2,3)18-19-14-16-22(17-15-19)24(20-10-6-4-7-11-20)21-12-8-5-9-13-21;/h4-17H,18H2,1-3H3;1H/q+1;/p-1
InChIKeySCOPNFOKKTUMIX-UHFFFAOYSA-M
XLogP0.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.33
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

CID 87882196
CID 87882196
[4-(methoxymethyl)phenyl]-diphenylphosphane
CID 22609699
benzyl(trimethyl)azanium;hydroxymethanolate
CID 87247218
azane;benzyl(trimethyl)azanium;hydroxide;hydrate
CID 174405671
bis(benzyl(trimethyl)azanium);dihydroxy(dioxido)silane
CID 142675519
tris(benzyl(trimethyl)azanium);chlorobenzene;tribromide
CID 175078088
[4-(iodomethyl)phenyl]-diphenylphosphane
CID 142704427
copper(1+);triphenylphosphane;bromide
CID 87491658
ethane;triphenylphosphane
CID 90942156
1-(4-diphenylphosphanylphenyl)-N,N-dimethylmethanamine
CID 134068234
triphenylphosphane
CID 139056248
benzyl(trimethyl)azanium;chloro(trimethyl)alumanuide
CID 87100014

Frequently Asked Questions

What is the IUPAC name of (4-diphenylphosphanylphenyl)methyl-trimethylazanium bromide?
The IUPAC name of (4-diphenylphosphanylphenyl)methyl-trimethylazanium bromide (CID 71665271) is (4-diphenylphosphanylphenyl)methyl-trimethylazanium bromide.
What is the SMILES notation for (4-diphenylphosphanylphenyl)methyl-trimethylazanium bromide?
The canonical SMILES for (4-diphenylphosphanylphenyl)methyl-trimethylazanium bromide is C[N+](C)(C)Cc1ccc(P(c2ccccc2)c2ccccc2)cc1.[Br-].
What is the InChIKey of (4-diphenylphosphanylphenyl)methyl-trimethylazanium bromide?
The InChIKey is SCOPNFOKKTUMIX-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H25NP.BrH/c1-23(2,3)18-19-14-16-22(17-15-19)24(20-10-6-4-7-11-20)21-12-8-5-9-13-21;/h4-17H,18H2,1-3H3;1H/q+1;/p-1.
What are the key properties of (4-diphenylphosphanylphenyl)methyl-trimethylazanium bromide?
(4-diphenylphosphanylphenyl)methyl-trimethylazanium bromide has a molecular weight of 414.33 g/mol, XLogP of 0.65, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-diphenylphosphanylphenyl)methyl-trimethylazanium bromide is sourced from PubChem (CID 71665271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).