ethane;methyl-tris(4-methylphenyl)phosphanium

C24H30P+ — CID 145330772

IUPACethane;methyl-tris(4-methylphenyl)phosphanium
SMILESCC.Cc1ccc([P+](C)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H24P.C2H6/c1-17-5-11-20(12-6-17)23(4,21-13-7-18(2)8-14-21)22-15-9-19(3)10-16-22;1-2/h5-16H,1-4H3;1-2H3/q+1;
InChIKeyCIZULIUXMVVTEU-UHFFFAOYSA-N
MW349.48 g/mol
LogP5.56
Rot. Bonds3

About ethane;methyl-tris(4-methylphenyl)phosphanium

ethane;methyl-tris(4-methylphenyl)phosphanium (PubChem CID 145330772) has the molecular formula C24H30P+ and a molecular weight of 349.48 g/mol. Its IUPAC name is ethane;methyl-tris(4-methylphenyl)phosphanium.

Molecular Properties

Compound Nameethane;methyl-tris(4-methylphenyl)phosphanium
PubChem CID145330772
Molecular FormulaC24H30P+
Molecular Weight349.48 g/mol
Exact Mass349.21
IUPAC Nameethane;methyl-tris(4-methylphenyl)phosphanium
SMILESCC.Cc1ccc([P+](C)(c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H24P.C2H6/c1-17-5-11-20(12-6-17)23(4,21-13-7-18(2)8-14-21)22-15-9-19(3)10-16-22;1-2/h5-16H,1-4H3;1-2H3/q+1;
InChIKeyCIZULIUXMVVTEU-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.48
LogP ≤ 55.56
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 ethane;methyl-tris(4-methylphenyl)phosphanium?
The IUPAC name of ethane;methyl-tris(4-methylphenyl)phosphanium (CID 145330772) is ethane;methyl-tris(4-methylphenyl)phosphanium.
What is the SMILES notation for ethane;methyl-tris(4-methylphenyl)phosphanium?
The canonical SMILES for ethane;methyl-tris(4-methylphenyl)phosphanium is CC.Cc1ccc([P+](C)(c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of ethane;methyl-tris(4-methylphenyl)phosphanium?
The InChIKey is CIZULIUXMVVTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24P.C2H6/c1-17-5-11-20(12-6-17)23(4,21-13-7-18(2)8-14-21)22-15-9-19(3)10-16-22;1-2/h5-16H,1-4H3;1-2H3/q+1;.
What are the key properties of ethane;methyl-tris(4-methylphenyl)phosphanium?
ethane;methyl-tris(4-methylphenyl)phosphanium has a molecular weight of 349.48 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl-tris(4-methylphenyl)phosphanium is sourced from PubChem (CID 145330772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).