triphenyl-[[2,4,6-tri(propan-2-yl)phenyl]methyl]phosphanium

C34H40P+ — CID 86735896

IUPACtriphenyl-[[2,4,6-tri(propan-2-yl)phenyl]methyl]phosphanium
SMILESCC(C)c1cc(C(C)C)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(C(C)C)c1
InChIInChI=1S/C34H40P/c1-25(2)28-22-32(26(3)4)34(33(23-28)27(5)6)24-35(29-16-10-7-11-17-29,30-18-12-8-13-19-30)31-20-14-9-15-21-31/h7-23,25-27H,24H2,1-6H3/q+1
InChIKeyVZVZZKOKNWRKAT-UHFFFAOYSA-N
MW479.67 g/mol
LogP8.55
Rot. Bonds8

About triphenyl-[[2,4,6-tri(propan-2-yl)phenyl]methyl]phosphanium

triphenyl-[[2,4,6-tri(propan-2-yl)phenyl]methyl]phosphanium (PubChem CID 86735896) has the molecular formula C34H40P+ and a molecular weight of 479.67 g/mol. Its IUPAC name is triphenyl-[[2,4,6-tri(propan-2-yl)phenyl]methyl]phosphanium.

Molecular Properties

Compound Nametriphenyl-[[2,4,6-tri(propan-2-yl)phenyl]methyl]phosphanium
PubChem CID86735896
Molecular FormulaC34H40P+
Molecular Weight479.67 g/mol
Exact Mass479.29
IUPAC Nametriphenyl-[[2,4,6-tri(propan-2-yl)phenyl]methyl]phosphanium
SMILESCC(C)c1cc(C(C)C)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(C(C)C)c1
InChIInChI=1S/C34H40P/c1-25(2)28-22-32(26(3)4)34(33(23-28)27(5)6)24-35(29-16-10-7-11-17-29,30-18-12-8-13-19-30)31-20-14-9-15-21-31/h7-23,25-27H,24H2,1-6H3/q+1
InChIKeyVZVZZKOKNWRKAT-UHFFFAOYSA-N
XLogP8.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.67
LogP ≤ 58.55
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

triphenyl-[(2-propan-2-ylphenyl)methyl]phosphanium
CID 87942469
2-(4-phenylphenyl)-1,3,5-tri(propan-2-yl)benzene
CID 151062491
1-phenyl-2-[2,4,6-tri(propan-2-yl)phenyl]ethanone
CID 13297027
2-[(E)-3-phenylprop-2-enyl]-1,3,5-tri(propan-2-yl)benzene
CID 102406113
2-(4-benzhydrylphenyl)-1,3,5-tri(propan-2-yl)benzene
CID 173006325
tetrakis([2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-diphenylphosphanium);bis(palladium)
CID 175358759
triphenyl-[[7-(triphenylphosphaniumylmethyl)naphthalen-2-yl]methyl]phosphanium
CID 11051135
bis(benzyl(triphenyl)phosphanium) dichloride
CID 161237104
[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-phenyl-propan-2-ylphosphane
CID 139466257
2-(chloromethyl)-1,3,5-tri(propan-2-yl)benzene;ethane
CID 143865267
arsane;benzyl(triphenyl)phosphanium;chloride
CID 174558543
benzyl(triphenyl)phosphanium;phosphane;iodide
CID 174958037

Frequently Asked Questions

What is the IUPAC name of triphenyl-[[2,4,6-tri(propan-2-yl)phenyl]methyl]phosphanium?
The IUPAC name of triphenyl-[[2,4,6-tri(propan-2-yl)phenyl]methyl]phosphanium (CID 86735896) is triphenyl-[[2,4,6-tri(propan-2-yl)phenyl]methyl]phosphanium.
What is the SMILES notation for triphenyl-[[2,4,6-tri(propan-2-yl)phenyl]methyl]phosphanium?
The canonical SMILES for triphenyl-[[2,4,6-tri(propan-2-yl)phenyl]methyl]phosphanium is CC(C)c1cc(C(C)C)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(C(C)C)c1.
What is the InChIKey of triphenyl-[[2,4,6-tri(propan-2-yl)phenyl]methyl]phosphanium?
The InChIKey is VZVZZKOKNWRKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40P/c1-25(2)28-22-32(26(3)4)34(33(23-28)27(5)6)24-35(29-16-10-7-11-17-29,30-18-12-8-13-19-30)31-20-14-9-15-21-31/h7-23,25-27H,24H2,1-6H3/q+1.
What are the key properties of triphenyl-[[2,4,6-tri(propan-2-yl)phenyl]methyl]phosphanium?
triphenyl-[[2,4,6-tri(propan-2-yl)phenyl]methyl]phosphanium has a molecular weight of 479.67 g/mol, XLogP of 8.55, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[[2,4,6-tri(propan-2-yl)phenyl]methyl]phosphanium is sourced from PubChem (CID 86735896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).