2,2,6,6-tetramethyl-4,4-diphenyl-1,4-azaphosphinan-4-ium

C20H27NP+ — CID 12525360

IUPAC2,2,6,6-tetramethyl-4,4-diphenyl-1,4-azaphosphinan-4-ium
SMILESCC1(C)C[P+](c2ccccc2)(c2ccccc2)CC(C)(C)N1
InChIInChI=1S/C20H27NP/c1-19(2)15-22(16-20(3,4)21-19,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,21H,15-16H2,1-4H3/q+1
InChIKeyIZPHTSHSBLKYCT-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.82
Rot. Bonds2

About 2,2,6,6-tetramethyl-4,4-diphenyl-1,4-azaphosphinan-4-ium

2,2,6,6-tetramethyl-4,4-diphenyl-1,4-azaphosphinan-4-ium (PubChem CID 12525360) has the molecular formula C20H27NP+ and a molecular weight of 312.42 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-4,4-diphenyl-1,4-azaphosphinan-4-ium.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-4,4-diphenyl-1,4-azaphosphinan-4-ium
PubChem CID12525360
Molecular FormulaC20H27NP+
Molecular Weight312.42 g/mol
Exact Mass312.19
IUPAC Name2,2,6,6-tetramethyl-4,4-diphenyl-1,4-azaphosphinan-4-ium
SMILESCC1(C)C[P+](c2ccccc2)(c2ccccc2)CC(C)(C)N1
InChIInChI=1S/C20H27NP/c1-19(2)15-22(16-20(3,4)21-19,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,21H,15-16H2,1-4H3/q+1
InChIKeyIZPHTSHSBLKYCT-UHFFFAOYSA-N
XLogP3.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-4,4-diphenyl-1,4-azaphosphinan-4-ium?
The IUPAC name of 2,2,6,6-tetramethyl-4,4-diphenyl-1,4-azaphosphinan-4-ium (CID 12525360) is 2,2,6,6-tetramethyl-4,4-diphenyl-1,4-azaphosphinan-4-ium.
What is the SMILES notation for 2,2,6,6-tetramethyl-4,4-diphenyl-1,4-azaphosphinan-4-ium?
The canonical SMILES for 2,2,6,6-tetramethyl-4,4-diphenyl-1,4-azaphosphinan-4-ium is CC1(C)C[P+](c2ccccc2)(c2ccccc2)CC(C)(C)N1.
What is the InChIKey of 2,2,6,6-tetramethyl-4,4-diphenyl-1,4-azaphosphinan-4-ium?
The InChIKey is IZPHTSHSBLKYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NP/c1-19(2)15-22(16-20(3,4)21-19,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,21H,15-16H2,1-4H3/q+1.
What are the key properties of 2,2,6,6-tetramethyl-4,4-diphenyl-1,4-azaphosphinan-4-ium?
2,2,6,6-tetramethyl-4,4-diphenyl-1,4-azaphosphinan-4-ium has a molecular weight of 312.42 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-4,4-diphenyl-1,4-azaphosphinan-4-ium is sourced from PubChem (CID 12525360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).