trianilino-(4-methylanilino)phosphanium chloride

C25H26ClN4P — CID 21238664

IUPACtrianilino-(4-methylanilino)phosphanium chloride
SMILESCc1ccc(N[P+](Nc2ccccc2)(Nc2ccccc2)Nc2ccccc2)cc1.[Cl-]
InChIInChI=1S/C25H26N4P.ClH/c1-21-17-19-25(20-18-21)29-30(26-22-11-5-2-6-12-22,27-23-13-7-3-8-14-23)28-24-15-9-4-10-16-24;/h2-20,26-29H,1H3;1H/q+1;/p-1
InChIKeyPJIQJNPKEPPNMC-UHFFFAOYSA-M
MW448.94 g/mol
LogP4.42
Rot. Bonds8

About trianilino-(4-methylanilino)phosphanium chloride

trianilino-(4-methylanilino)phosphanium chloride (PubChem CID 21238664) has the molecular formula C25H26ClN4P and a molecular weight of 448.94 g/mol. Its IUPAC name is trianilino-(4-methylanilino)phosphanium chloride.

Molecular Properties

Compound Nametrianilino-(4-methylanilino)phosphanium chloride
PubChem CID21238664
Molecular FormulaC25H26ClN4P
Molecular Weight448.94 g/mol
Exact Mass448.16
IUPAC Nametrianilino-(4-methylanilino)phosphanium chloride
SMILESCc1ccc(N[P+](Nc2ccccc2)(Nc2ccccc2)Nc2ccccc2)cc1.[Cl-]
InChIInChI=1S/C25H26N4P.ClH/c1-21-17-19-25(20-18-21)29-30(26-22-11-5-2-6-12-22,27-23-13-7-3-8-14-23)28-24-15-9-4-10-16-24;/h2-20,26-29H,1H3;1H/q+1;/p-1
InChIKeyPJIQJNPKEPPNMC-UHFFFAOYSA-M
XLogP4.42
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.94
LogP ≤ 54.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze trianilino-(4-methylanilino)phosphanium chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diphenyl-sulfanylidene-sulfido-λ5-phosphane;tetraanilinophosphanium
CID 21237917
benzene;bis(1,4-xylene)
CID 159472747
4-methyl-N-[(R)-phenyl(pyridin-4-yl)methyl]aniline
CID 762865
N-[1-(4-methylphenoxy)ethyl]aniline
CID 154338063
1-N,1-N'-bis(4-methylphenyl)ethane-1,1-diamine
CID 87484866
diethyl-bis(4-methylanilino)phosphanium
CID 132582432
4-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline
CID 43765835
N-[1-(4-methylphenyl)but-3-ynyl]aniline
CID 132561517
4-N-(4-methylphenyl)-6-N-phenyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine;hydrochloride
CID 134150531
radon;toluene;1,4-xylene
CID 174747246
methylcyclotriacontapentadecaene
CID 101240530
benzene;toluene
CID 158487474

Frequently Asked Questions

What is the IUPAC name of trianilino-(4-methylanilino)phosphanium chloride?
The IUPAC name of trianilino-(4-methylanilino)phosphanium chloride (CID 21238664) is trianilino-(4-methylanilino)phosphanium chloride.
What is the SMILES notation for trianilino-(4-methylanilino)phosphanium chloride?
The canonical SMILES for trianilino-(4-methylanilino)phosphanium chloride is Cc1ccc(N[P+](Nc2ccccc2)(Nc2ccccc2)Nc2ccccc2)cc1.[Cl-].
What is the InChIKey of trianilino-(4-methylanilino)phosphanium chloride?
The InChIKey is PJIQJNPKEPPNMC-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H26N4P.ClH/c1-21-17-19-25(20-18-21)29-30(26-22-11-5-2-6-12-22,27-23-13-7-3-8-14-23)28-24-15-9-4-10-16-24;/h2-20,26-29H,1H3;1H/q+1;/p-1.
What are the key properties of trianilino-(4-methylanilino)phosphanium chloride?
trianilino-(4-methylanilino)phosphanium chloride has a molecular weight of 448.94 g/mol, XLogP of 4.42, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trianilino-(4-methylanilino)phosphanium chloride is sourced from PubChem (CID 21238664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).