[2-(dimethylamino)-2,2-bis[2,6-di(propan-2-yl)phenyl]ethyl]-trihydroxyphosphanium

C28H45NO3P+ — CID 172825669

IUPAC[2-(dimethylamino)-2,2-bis[2,6-di(propan-2-yl)phenyl]ethyl]-trihydroxyphosphanium
SMILESCC(C)c1cccc(C(C)C)c1C(C[P+](O)(O)O)(c1c(C(C)C)cccc1C(C)C)N(C)C
InChIInChI=1S/C28H45NO3P/c1-18(2)22-13-11-14-23(19(3)4)26(22)28(29(9)10,17-33(30,31)32)27-24(20(5)6)15-12-16-25(27)21(7)8/h11-16,18-21,30-32H,17H2,1-10H3/q+1
InChIKeyDVNHNSLNDYPRCW-UHFFFAOYSA-N
MW474.65 g/mol
LogP6.72
Rot. Bonds9

About [2-(dimethylamino)-2,2-bis[2,6-di(propan-2-yl)phenyl]ethyl]-trihydroxyphosphanium

[2-(dimethylamino)-2,2-bis[2,6-di(propan-2-yl)phenyl]ethyl]-trihydroxyphosphanium (PubChem CID 172825669) has the molecular formula C28H45NO3P+ and a molecular weight of 474.65 g/mol. Its IUPAC name is [2-(dimethylamino)-2,2-bis[2,6-di(propan-2-yl)phenyl]ethyl]-trihydroxyphosphanium.

Molecular Properties

Compound Name[2-(dimethylamino)-2,2-bis[2,6-di(propan-2-yl)phenyl]ethyl]-trihydroxyphosphanium
PubChem CID172825669
Molecular FormulaC28H45NO3P+
Molecular Weight474.65 g/mol
Exact Mass474.31
IUPAC Name[2-(dimethylamino)-2,2-bis[2,6-di(propan-2-yl)phenyl]ethyl]-trihydroxyphosphanium
SMILESCC(C)c1cccc(C(C)C)c1C(C[P+](O)(O)O)(c1c(C(C)C)cccc1C(C)C)N(C)C
InChIInChI=1S/C28H45NO3P/c1-18(2)22-13-11-14-23(19(3)4)26(22)28(29(9)10,17-33(30,31)32)27-24(20(5)6)15-12-16-25(27)21(7)8/h11-16,18-21,30-32H,17H2,1-10H3/q+1
InChIKeyDVNHNSLNDYPRCW-UHFFFAOYSA-N
XLogP6.72
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.65
LogP ≤ 56.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2,2-bis(2,6-diethylphenyl)-2-(dimethylamino)ethyl]-trihydroxyphosphanium
CID 172753258
[3-propan-2-yl-2-(trifluoromethyl)phenyl]methanol
CID 118269805
1-[2,6-di(propan-2-yl)phenyl]-3-sulfanylpropane-1,2-diol
CID 170820724
2,2-bis[2,6-di(propan-2-yl)phenyl]propanediamide
CID 142656757
bis([2,6-di(propan-2-yl)phenyl]-(4-hydroxypentan-2-yl)azanide);nickel(2+)
CID 5246282
N-methyl-N-(3-methylpentan-3-yl)-2,6-di(propan-2-yl)aniline
CID 118933000
2,6-di(propan-2-yl)phenol;silver
CID 174803720
1,2-di(propan-2-yl)benzene;1-sulfanylethanol
CID 174932639
aluminum;carbanide;[2,6-di(propan-2-yl)phenyl]-(4-hydroxypentan-2-yl)azanide
CID 5249761
3-bromo-1-(2-propan-2-ylphenyl)propane-1,2-diol
CID 171859819
1-[2,6-di(propan-2-yl)phenoxy]propan-2-ol
CID 19774059
1-[2,6-di(propan-2-yl)phenoxy]-N,N-dimethylmethanamine
CID 155456372

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2,2-bis[2,6-di(propan-2-yl)phenyl]ethyl]-trihydroxyphosphanium?
The IUPAC name of [2-(dimethylamino)-2,2-bis[2,6-di(propan-2-yl)phenyl]ethyl]-trihydroxyphosphanium (CID 172825669) is [2-(dimethylamino)-2,2-bis[2,6-di(propan-2-yl)phenyl]ethyl]-trihydroxyphosphanium.
What is the SMILES notation for [2-(dimethylamino)-2,2-bis[2,6-di(propan-2-yl)phenyl]ethyl]-trihydroxyphosphanium?
The canonical SMILES for [2-(dimethylamino)-2,2-bis[2,6-di(propan-2-yl)phenyl]ethyl]-trihydroxyphosphanium is CC(C)c1cccc(C(C)C)c1C(C[P+](O)(O)O)(c1c(C(C)C)cccc1C(C)C)N(C)C.
What is the InChIKey of [2-(dimethylamino)-2,2-bis[2,6-di(propan-2-yl)phenyl]ethyl]-trihydroxyphosphanium?
The InChIKey is DVNHNSLNDYPRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H45NO3P/c1-18(2)22-13-11-14-23(19(3)4)26(22)28(29(9)10,17-33(30,31)32)27-24(20(5)6)15-12-16-25(27)21(7)8/h11-16,18-21,30-32H,17H2,1-10H3/q+1.
What are the key properties of [2-(dimethylamino)-2,2-bis[2,6-di(propan-2-yl)phenyl]ethyl]-trihydroxyphosphanium?
[2-(dimethylamino)-2,2-bis[2,6-di(propan-2-yl)phenyl]ethyl]-trihydroxyphosphanium has a molecular weight of 474.65 g/mol, XLogP of 6.72, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2,2-bis[2,6-di(propan-2-yl)phenyl]ethyl]-trihydroxyphosphanium is sourced from PubChem (CID 172825669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).