methyl-tris[4-(2-methylbutan-2-yl)phenyl]phosphanium

C34H48P+ — CID 23463777

IUPACmethyl-tris[4-(2-methylbutan-2-yl)phenyl]phosphanium
SMILESCCC(C)(C)c1ccc([P+](C)(c2ccc(C(C)(C)CC)cc2)c2ccc(C(C)(C)CC)cc2)cc1
InChIInChI=1S/C34H48P/c1-11-32(4,5)26-14-20-29(21-15-26)35(10,30-22-16-27(17-23-30)33(6,7)12-2)31-24-18-28(19-25-31)34(8,9)13-3/h14-25H,11-13H2,1-10H3/q+1
InChIKeyNDZOXAUCVSHDEW-UHFFFAOYSA-N
MW487.73 g/mol
LogP8.67
Rot. Bonds9

About methyl-tris[4-(2-methylbutan-2-yl)phenyl]phosphanium

methyl-tris[4-(2-methylbutan-2-yl)phenyl]phosphanium (PubChem CID 23463777) has the molecular formula C34H48P+ and a molecular weight of 487.73 g/mol. Its IUPAC name is methyl-tris[4-(2-methylbutan-2-yl)phenyl]phosphanium.

Molecular Properties

Compound Namemethyl-tris[4-(2-methylbutan-2-yl)phenyl]phosphanium
PubChem CID23463777
Molecular FormulaC34H48P+
Molecular Weight487.73 g/mol
Exact Mass487.35
IUPAC Namemethyl-tris[4-(2-methylbutan-2-yl)phenyl]phosphanium
SMILESCCC(C)(C)c1ccc([P+](C)(c2ccc(C(C)(C)CC)cc2)c2ccc(C(C)(C)CC)cc2)cc1
InChIInChI=1S/C34H48P/c1-11-32(4,5)26-14-20-29(21-15-26)35(10,30-22-16-27(17-23-30)33(6,7)12-2)31-24-18-28(19-25-31)34(8,9)13-3/h14-25H,11-13H2,1-10H3/q+1
InChIKeyNDZOXAUCVSHDEW-UHFFFAOYSA-N
XLogP8.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.73
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-tris[4-(2-methylbutan-2-yl)phenyl]phosphanium?
The IUPAC name of methyl-tris[4-(2-methylbutan-2-yl)phenyl]phosphanium (CID 23463777) is methyl-tris[4-(2-methylbutan-2-yl)phenyl]phosphanium.
What is the SMILES notation for methyl-tris[4-(2-methylbutan-2-yl)phenyl]phosphanium?
The canonical SMILES for methyl-tris[4-(2-methylbutan-2-yl)phenyl]phosphanium is CCC(C)(C)c1ccc([P+](C)(c2ccc(C(C)(C)CC)cc2)c2ccc(C(C)(C)CC)cc2)cc1.
What is the InChIKey of methyl-tris[4-(2-methylbutan-2-yl)phenyl]phosphanium?
The InChIKey is NDZOXAUCVSHDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H48P/c1-11-32(4,5)26-14-20-29(21-15-26)35(10,30-22-16-27(17-23-30)33(6,7)12-2)31-24-18-28(19-25-31)34(8,9)13-3/h14-25H,11-13H2,1-10H3/q+1.
What are the key properties of methyl-tris[4-(2-methylbutan-2-yl)phenyl]phosphanium?
methyl-tris[4-(2-methylbutan-2-yl)phenyl]phosphanium has a molecular weight of 487.73 g/mol, XLogP of 8.67, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-tris[4-(2-methylbutan-2-yl)phenyl]phosphanium is sourced from PubChem (CID 23463777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).