[2,2-bis(2,6-diethylphenyl)-2-(dimethylamino)ethyl]-trihydroxyphosphanium

C24H37NO3P+ — CID 172753258

IUPAC[2,2-bis(2,6-diethylphenyl)-2-(dimethylamino)ethyl]-trihydroxyphosphanium
SMILESCCc1cccc(CC)c1C(C[P+](O)(O)O)(c1c(CC)cccc1CC)N(C)C
InChIInChI=1S/C24H37NO3P/c1-7-18-13-11-14-19(8-2)22(18)24(25(5)6,17-29(26,27)28)23-20(9-3)15-12-16-21(23)10-4/h11-16,26-28H,7-10,17H2,1-6H3/q+1
InChIKeyZJULAOIMDDFRRQ-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.48
Rot. Bonds9

About [2,2-bis(2,6-diethylphenyl)-2-(dimethylamino)ethyl]-trihydroxyphosphanium

[2,2-bis(2,6-diethylphenyl)-2-(dimethylamino)ethyl]-trihydroxyphosphanium (PubChem CID 172753258) has the molecular formula C24H37NO3P+ and a molecular weight of 418.54 g/mol. Its IUPAC name is [2,2-bis(2,6-diethylphenyl)-2-(dimethylamino)ethyl]-trihydroxyphosphanium.

Molecular Properties

Compound Name[2,2-bis(2,6-diethylphenyl)-2-(dimethylamino)ethyl]-trihydroxyphosphanium
PubChem CID172753258
Molecular FormulaC24H37NO3P+
Molecular Weight418.54 g/mol
Exact Mass418.25
IUPAC Name[2,2-bis(2,6-diethylphenyl)-2-(dimethylamino)ethyl]-trihydroxyphosphanium
SMILESCCc1cccc(CC)c1C(C[P+](O)(O)O)(c1c(CC)cccc1CC)N(C)C
InChIInChI=1S/C24H37NO3P/c1-7-18-13-11-14-19(8-2)22(18)24(25(5)6,17-29(26,27)28)23-20(9-3)15-12-16-21(23)10-4/h11-16,26-28H,7-10,17H2,1-6H3/q+1
InChIKeyZJULAOIMDDFRRQ-UHFFFAOYSA-N
XLogP4.48
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2,2-bis(2,6-diethylphenyl)-2-(dimethylamino)ethyl]-trihydroxyphosphanium 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

[2-(dimethylamino)-2,2-bis[2,6-di(propan-2-yl)phenyl]ethyl]-trihydroxyphosphanium
CID 172825669
2-(2,6-diethylphenyl)propan-2-ol
CID 117283274
1,3-diethyl-2-(trifluoromethyl)benzene
CID 91552460
1-[3-ethyl-2-(trifluoromethyl)phenyl]propan-2-one
CID 118835917
(2-tert-butyl-3-ethylphenyl)methanol
CID 158088532
3-(dimethylamino)-3-(2-ethylphenyl)butan-2-one
CID 142196586
2-ethyl-6-(3-ethyl-2-hydroxyphenyl)phenol
CID 14783606
1-chloro-3-ethyl-2-(trifluoromethyl)benzene
CID 71072896
2-tert-butyl-1-ethyl-3-iodobenzene
CID 146636701
bis(2,6-diethylphenol);1,4-xylene
CID 160641052
(2-ethyl-6-iodophenyl)methanediol
CID 156529935
3-ethyl-2-(trifluoromethyl)benzoate
CID 53405985

Frequently Asked Questions

What is the IUPAC name of [2,2-bis(2,6-diethylphenyl)-2-(dimethylamino)ethyl]-trihydroxyphosphanium?
The IUPAC name of [2,2-bis(2,6-diethylphenyl)-2-(dimethylamino)ethyl]-trihydroxyphosphanium (CID 172753258) is [2,2-bis(2,6-diethylphenyl)-2-(dimethylamino)ethyl]-trihydroxyphosphanium.
What is the SMILES notation for [2,2-bis(2,6-diethylphenyl)-2-(dimethylamino)ethyl]-trihydroxyphosphanium?
The canonical SMILES for [2,2-bis(2,6-diethylphenyl)-2-(dimethylamino)ethyl]-trihydroxyphosphanium is CCc1cccc(CC)c1C(C[P+](O)(O)O)(c1c(CC)cccc1CC)N(C)C.
What is the InChIKey of [2,2-bis(2,6-diethylphenyl)-2-(dimethylamino)ethyl]-trihydroxyphosphanium?
The InChIKey is ZJULAOIMDDFRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37NO3P/c1-7-18-13-11-14-19(8-2)22(18)24(25(5)6,17-29(26,27)28)23-20(9-3)15-12-16-21(23)10-4/h11-16,26-28H,7-10,17H2,1-6H3/q+1.
What are the key properties of [2,2-bis(2,6-diethylphenyl)-2-(dimethylamino)ethyl]-trihydroxyphosphanium?
[2,2-bis(2,6-diethylphenyl)-2-(dimethylamino)ethyl]-trihydroxyphosphanium has a molecular weight of 418.54 g/mol, XLogP of 4.48, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-bis(2,6-diethylphenyl)-2-(dimethylamino)ethyl]-trihydroxyphosphanium is sourced from PubChem (CID 172753258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).