5-methyl-5-(4-methylphenyl)benzo[b]phosphindol-5-ium

C20H18P+ — CID 173176749

IUPAC5-methyl-5-(4-methylphenyl)benzo[b]phosphindol-5-ium
SMILESCc1ccc([P+]2(C)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C20H18P/c1-15-11-13-16(14-12-15)21(2)19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-14H,1-2H3/q+1
InChIKeyJHGGNYNBGJPIEM-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.90
Rot. Bonds1

About 5-methyl-5-(4-methylphenyl)benzo[b]phosphindol-5-ium

5-methyl-5-(4-methylphenyl)benzo[b]phosphindol-5-ium (PubChem CID 173176749) has the molecular formula C20H18P+ and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-methyl-5-(4-methylphenyl)benzo[b]phosphindol-5-ium.

Molecular Properties

Compound Name5-methyl-5-(4-methylphenyl)benzo[b]phosphindol-5-ium
PubChem CID173176749
Molecular FormulaC20H18P+
Molecular Weight289.34 g/mol
Exact Mass289.11
IUPAC Name5-methyl-5-(4-methylphenyl)benzo[b]phosphindol-5-ium
SMILESCc1ccc([P+]2(C)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C20H18P/c1-15-11-13-16(14-12-15)21(2)19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-14H,1-2H3/q+1
InChIKeyJHGGNYNBGJPIEM-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-methyl-5-(4-methylphenyl)benzo[b]phosphindol-5-ium 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

benzene;bis(1,4-xylene)
CID 159472747
radon;toluene;1,4-xylene
CID 174747246
benzene;toluene
CID 158487474
methylcyclotriacontapentadecaene
CID 101240530
titanium(2+);toluene
CID 22023820
9-methyl-N,N-bis(4-methylphenyl)-9H-fluoren-2-amine
CID 18730181
cobalt;bis(1,4-xylene)
CID 67859603
platinum;1,4-xylene
CID 173034643
methane;pentakis(1,4-xylene)
CID 160760083
2-[4-(4-methylphenyl)phenyl]aniline
CID 154563208
1-bromo-2-(4-methylphenyl)benzene;ethane
CID 144848259
N,N-dimethyl-1-[2-(4-methylphenyl)phenyl]methanamine
CID 21301167

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(4-methylphenyl)benzo[b]phosphindol-5-ium?
The IUPAC name of 5-methyl-5-(4-methylphenyl)benzo[b]phosphindol-5-ium (CID 173176749) is 5-methyl-5-(4-methylphenyl)benzo[b]phosphindol-5-ium.
What is the SMILES notation for 5-methyl-5-(4-methylphenyl)benzo[b]phosphindol-5-ium?
The canonical SMILES for 5-methyl-5-(4-methylphenyl)benzo[b]phosphindol-5-ium is Cc1ccc([P+]2(C)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 5-methyl-5-(4-methylphenyl)benzo[b]phosphindol-5-ium?
The InChIKey is JHGGNYNBGJPIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18P/c1-15-11-13-16(14-12-15)21(2)19-9-5-3-7-17(19)18-8-4-6-10-20(18)21/h3-14H,1-2H3/q+1.
What are the key properties of 5-methyl-5-(4-methylphenyl)benzo[b]phosphindol-5-ium?
5-methyl-5-(4-methylphenyl)benzo[b]phosphindol-5-ium has a molecular weight of 289.34 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(4-methylphenyl)benzo[b]phosphindol-5-ium is sourced from PubChem (CID 173176749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).