benzyl(triphenyl)phosphanium;N,N-diphenylaniline

C43H37NP+ — CID 174624401

IUPACbenzyl(triphenyl)phosphanium;N,N-diphenylaniline
SMILESc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22P.C18H15N/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-20H,21H2;1-15H/q+1;
InChIKeyKXSAMHFOYRFOGM-UHFFFAOYSA-N
MW598.75 g/mol
LogP10.34
Rot. Bonds8

About benzyl(triphenyl)phosphanium;N,N-diphenylaniline

benzyl(triphenyl)phosphanium;N,N-diphenylaniline (PubChem CID 174624401) has the molecular formula C43H37NP+ and a molecular weight of 598.75 g/mol. Its IUPAC name is benzyl(triphenyl)phosphanium;N,N-diphenylaniline.

Molecular Properties

Compound Namebenzyl(triphenyl)phosphanium;N,N-diphenylaniline
PubChem CID174624401
Molecular FormulaC43H37NP+
Molecular Weight598.75 g/mol
Exact Mass598.27
IUPAC Namebenzyl(triphenyl)phosphanium;N,N-diphenylaniline
SMILESc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H22P.C18H15N/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-20H,21H2;1-15H/q+1;
InChIKeyKXSAMHFOYRFOGM-UHFFFAOYSA-N
XLogP10.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.75
LogP ≤ 510.34
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

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CID 175569574
bis(benzyl(triphenyl)phosphanium) dichloride
CID 161237104
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CID 174558543
benzyl(triphenyl)phosphanium;phosphane;iodide
CID 174958037
benzyl(triphenyl)phosphanium;triphenylphosphane
CID 90751570
benzyl(triphenyl)phosphanium phenoxide
CID 18469640
2-[diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphaniumyl]ethyl-diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium
CID 91315511
triphenyl(pyridin-4-ylmethyl)phosphanium;iodide;hydrochloride
CID 86741343
[4-[(E)-1,2-diphenyl-2-[4-(triphenylphosphaniumylmethyl)phenyl]ethenyl]phenyl]methyl-triphenylphosphanium
CID 90305713
[4-[2-hydroxyethyl(methyl)amino]phenyl]methyl-triphenylphosphanium
CID 58916021
N,N-diphenylaniline;phenylmethanol
CID 174958363
(4-ethoxyphenyl)methyl-triphenylphosphanium bromide
CID 2724470

Frequently Asked Questions

What is the IUPAC name of benzyl(triphenyl)phosphanium;N,N-diphenylaniline?
The IUPAC name of benzyl(triphenyl)phosphanium;N,N-diphenylaniline (CID 174624401) is benzyl(triphenyl)phosphanium;N,N-diphenylaniline.
What is the SMILES notation for benzyl(triphenyl)phosphanium;N,N-diphenylaniline?
The canonical SMILES for benzyl(triphenyl)phosphanium;N,N-diphenylaniline is c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.c1ccc(N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of benzyl(triphenyl)phosphanium;N,N-diphenylaniline?
The InChIKey is KXSAMHFOYRFOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22P.C18H15N/c1-5-13-22(14-6-1)21-26(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-20H,21H2;1-15H/q+1;.
What are the key properties of benzyl(triphenyl)phosphanium;N,N-diphenylaniline?
benzyl(triphenyl)phosphanium;N,N-diphenylaniline has a molecular weight of 598.75 g/mol, XLogP of 10.34, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(triphenyl)phosphanium;N,N-diphenylaniline is sourced from PubChem (CID 174624401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).