(4-methylphenyl)-tris(2,3,4,5,6-pentadeuteriophenyl)phosphanium

C25H22P+ — CID 139250642

IUPAC(4-methylphenyl)-tris(2,3,4,5,6-pentadeuteriophenyl)phosphanium
SMILES[2H]c1c([2H])c([2H])c([P+](c2ccc(C)cc2)(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C25H22P/c1-21-17-19-25(20-18-21)26(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-20H,1H3/q+1/i2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D
InChIKeyPQCPZAYVYWOSIA-GMGQRHSFSA-N
MW368.52 g/mol
LogP4.61
Rot. Bonds4

About (4-methylphenyl)-tris(2,3,4,5,6-pentadeuteriophenyl)phosphanium

(4-methylphenyl)-tris(2,3,4,5,6-pentadeuteriophenyl)phosphanium (PubChem CID 139250642) has the molecular formula C25H22P+ and a molecular weight of 368.52 g/mol. Its IUPAC name is (4-methylphenyl)-tris(2,3,4,5,6-pentadeuteriophenyl)phosphanium.

Molecular Properties

Compound Name(4-methylphenyl)-tris(2,3,4,5,6-pentadeuteriophenyl)phosphanium
PubChem CID139250642
Molecular FormulaC25H22P+
Molecular Weight368.52 g/mol
Exact Mass368.24
IUPAC Name(4-methylphenyl)-tris(2,3,4,5,6-pentadeuteriophenyl)phosphanium
SMILES[2H]c1c([2H])c([2H])c([P+](c2ccc(C)cc2)(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C25H22P/c1-21-17-19-25(20-18-21)26(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-20H,1H3/q+1/i2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D
InChIKeyPQCPZAYVYWOSIA-GMGQRHSFSA-N
XLogP4.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 54.61
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 (4-methylphenyl)-tris(2,3,4,5,6-pentadeuteriophenyl)phosphanium?
The IUPAC name of (4-methylphenyl)-tris(2,3,4,5,6-pentadeuteriophenyl)phosphanium (CID 139250642) is (4-methylphenyl)-tris(2,3,4,5,6-pentadeuteriophenyl)phosphanium.
What is the SMILES notation for (4-methylphenyl)-tris(2,3,4,5,6-pentadeuteriophenyl)phosphanium?
The canonical SMILES for (4-methylphenyl)-tris(2,3,4,5,6-pentadeuteriophenyl)phosphanium is [2H]c1c([2H])c([2H])c([P+](c2ccc(C)cc2)(c2c([2H])c([2H])c([2H])c([2H])c2[2H])c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H].
What is the InChIKey of (4-methylphenyl)-tris(2,3,4,5,6-pentadeuteriophenyl)phosphanium?
The InChIKey is PQCPZAYVYWOSIA-GMGQRHSFSA-N. The full InChI is InChI=1S/C25H22P/c1-21-17-19-25(20-18-21)26(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-20H,1H3/q+1/i2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D,13D,14D,15D,16D.
What are the key properties of (4-methylphenyl)-tris(2,3,4,5,6-pentadeuteriophenyl)phosphanium?
(4-methylphenyl)-tris(2,3,4,5,6-pentadeuteriophenyl)phosphanium has a molecular weight of 368.52 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-tris(2,3,4,5,6-pentadeuteriophenyl)phosphanium is sourced from PubChem (CID 139250642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).