dihydroxy(oxo)phosphanium;1-heptyl-2,4,5-triphenylimidazole

C28H32N2O3P+ — CID 70277555

IUPACdihydroxy(oxo)phosphanium;1-heptyl-2,4,5-triphenylimidazole
SMILESCCCCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1-c1ccccc1.O=[P+](O)O
InChIInChI=1S/C28H30N2.HO3P/c1-2-3-4-5-15-22-30-27(24-18-11-7-12-19-24)26(23-16-9-6-10-17-23)29-28(30)25-20-13-8-14-21-25;1-4(2)3/h6-14,16-21H,2-5,15,22H2,1H3;(H-,1,2,3)/p+1
InChIKeyWPGNSSFUSIWOMN-UHFFFAOYSA-O
MW475.55 g/mol
LogP7.48
Rot. Bonds9

About dihydroxy(oxo)phosphanium;1-heptyl-2,4,5-triphenylimidazole

dihydroxy(oxo)phosphanium;1-heptyl-2,4,5-triphenylimidazole (PubChem CID 70277555) has the molecular formula C28H32N2O3P+ and a molecular weight of 475.55 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;1-heptyl-2,4,5-triphenylimidazole.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;1-heptyl-2,4,5-triphenylimidazole
PubChem CID70277555
Molecular FormulaC28H32N2O3P+
Molecular Weight475.55 g/mol
Exact Mass475.21
IUPAC Namedihydroxy(oxo)phosphanium;1-heptyl-2,4,5-triphenylimidazole
SMILESCCCCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1-c1ccccc1.O=[P+](O)O
InChIInChI=1S/C28H30N2.HO3P/c1-2-3-4-5-15-22-30-27(24-18-11-7-12-19-24)26(23-16-9-6-10-17-23)29-28(30)25-20-13-8-14-21-25;1-4(2)3/h6-14,16-21H,2-5,15,22H2,1H3;(H-,1,2,3)/p+1
InChIKeyWPGNSSFUSIWOMN-UHFFFAOYSA-O
XLogP7.48
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.55
LogP ≤ 57.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;1-heptyl-2,4,5-triphenylimidazole?
The IUPAC name of dihydroxy(oxo)phosphanium;1-heptyl-2,4,5-triphenylimidazole (CID 70277555) is dihydroxy(oxo)phosphanium;1-heptyl-2,4,5-triphenylimidazole.
What is the SMILES notation for dihydroxy(oxo)phosphanium;1-heptyl-2,4,5-triphenylimidazole?
The canonical SMILES for dihydroxy(oxo)phosphanium;1-heptyl-2,4,5-triphenylimidazole is CCCCCCCn1c(-c2ccccc2)nc(-c2ccccc2)c1-c1ccccc1.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;1-heptyl-2,4,5-triphenylimidazole?
The InChIKey is WPGNSSFUSIWOMN-UHFFFAOYSA-O. The full InChI is InChI=1S/C28H30N2.HO3P/c1-2-3-4-5-15-22-30-27(24-18-11-7-12-19-24)26(23-16-9-6-10-17-23)29-28(30)25-20-13-8-14-21-25;1-4(2)3/h6-14,16-21H,2-5,15,22H2,1H3;(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;1-heptyl-2,4,5-triphenylimidazole?
dihydroxy(oxo)phosphanium;1-heptyl-2,4,5-triphenylimidazole has a molecular weight of 475.55 g/mol, XLogP of 7.48, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;1-heptyl-2,4,5-triphenylimidazole is sourced from PubChem (CID 70277555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).