triphenyl-[(2-propan-2-ylphenyl)methyl]phosphanium

C28H28P+ — CID 87942469

IUPACtriphenyl-[(2-propan-2-ylphenyl)methyl]phosphanium
SMILESCC(C)c1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28P/c1-23(2)28-21-13-12-14-24(28)22-29(25-15-6-3-7-16-25,26-17-8-4-9-18-26)27-19-10-5-11-20-27/h3-21,23H,22H2,1-2H3/q+1
InChIKeyOHXGKMXRHIOXBL-UHFFFAOYSA-N
MW395.51 g/mol
LogP6.30
Rot. Bonds6

About triphenyl-[(2-propan-2-ylphenyl)methyl]phosphanium

triphenyl-[(2-propan-2-ylphenyl)methyl]phosphanium (PubChem CID 87942469) has the molecular formula C28H28P+ and a molecular weight of 395.51 g/mol. Its IUPAC name is triphenyl-[(2-propan-2-ylphenyl)methyl]phosphanium.

Molecular Properties

Compound Nametriphenyl-[(2-propan-2-ylphenyl)methyl]phosphanium
PubChem CID87942469
Molecular FormulaC28H28P+
Molecular Weight395.51 g/mol
Exact Mass395.19
IUPAC Nametriphenyl-[(2-propan-2-ylphenyl)methyl]phosphanium
SMILESCC(C)c1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H28P/c1-23(2)28-21-13-12-14-24(28)22-29(25-15-6-3-7-16-25,26-17-8-4-9-18-26)27-19-10-5-11-20-27/h3-21,23H,22H2,1-2H3/q+1
InChIKeyOHXGKMXRHIOXBL-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2-methylphenyl)methyl-triphenylphosphanium iodide
CID 169490817
(2-ethylphenyl)methyl-triphenylphosphanium bromide
CID 87630511
1-propan-2-yl-2-[(2-propan-2-ylphenyl)methyl]benzene
CID 15068594
triphenyl-[[2,4,6-tri(propan-2-yl)phenyl]methyl]phosphanium
CID 86735896
CID 173166794
CID 173166794
1-benzyl-2-propan-2-ylbenzene
CID 13215617
(2-hydroxyphenyl)methyl-triphenylphosphanium iodide
CID 158901182
(2-propan-2-ylphenyl)methanamine
CID 15040708
(2-bromophenyl)methyl-triphenylphosphanium;hydrobromide
CID 174764929
naphthalen-1-ylmethyl(triphenyl)phosphanium
CID 2734114
2-(2-propan-2-ylphenyl)acetic acid;hydrochloride
CID 70396456
(2-methoxyphenyl)methyl-triphenylphosphanium;hydrobromide
CID 175467384

Frequently Asked Questions

What is the IUPAC name of triphenyl-[(2-propan-2-ylphenyl)methyl]phosphanium?
The IUPAC name of triphenyl-[(2-propan-2-ylphenyl)methyl]phosphanium (CID 87942469) is triphenyl-[(2-propan-2-ylphenyl)methyl]phosphanium.
What is the SMILES notation for triphenyl-[(2-propan-2-ylphenyl)methyl]phosphanium?
The canonical SMILES for triphenyl-[(2-propan-2-ylphenyl)methyl]phosphanium is CC(C)c1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of triphenyl-[(2-propan-2-ylphenyl)methyl]phosphanium?
The InChIKey is OHXGKMXRHIOXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28P/c1-23(2)28-21-13-12-14-24(28)22-29(25-15-6-3-7-16-25,26-17-8-4-9-18-26)27-19-10-5-11-20-27/h3-21,23H,22H2,1-2H3/q+1.
What are the key properties of triphenyl-[(2-propan-2-ylphenyl)methyl]phosphanium?
triphenyl-[(2-propan-2-ylphenyl)methyl]phosphanium has a molecular weight of 395.51 g/mol, XLogP of 6.30, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[(2-propan-2-ylphenyl)methyl]phosphanium is sourced from PubChem (CID 87942469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).