[7-(dimethylamino)-5-ethoxy-10-(2-methylphenyl)-5-oxoacridophosphin-3-ylidene]-dimethylazanium

C26H30N2O2P+ — CID 132548960

IUPAC[7-(dimethylamino)-5-ethoxy-10-(2-methylphenyl)-5-oxoacridophosphin-3-ylidene]-dimethylazanium
SMILESCCOP1(=O)C2=CC(=[N+](C)C)C=CC2=C(c2ccccc2C)c2ccc(N(C)C)cc21
InChIInChI=1S/C26H30N2O2P/c1-7-30-31(29)24-16-19(27(3)4)12-14-22(24)26(21-11-9-8-10-18(21)2)23-15-13-20(28(5)6)17-25(23)31/h8-17H,7H2,1-6H3/q+1
InChIKeyQUJRPVIFMRNRDZ-UHFFFAOYSA-N
MW433.51 g/mol
LogP4.98
Rot. Bonds4

About [7-(dimethylamino)-5-ethoxy-10-(2-methylphenyl)-5-oxoacridophosphin-3-ylidene]-dimethylazanium

[7-(dimethylamino)-5-ethoxy-10-(2-methylphenyl)-5-oxoacridophosphin-3-ylidene]-dimethylazanium (PubChem CID 132548960) has the molecular formula C26H30N2O2P+ and a molecular weight of 433.51 g/mol. Its IUPAC name is [7-(dimethylamino)-5-ethoxy-10-(2-methylphenyl)-5-oxoacridophosphin-3-ylidene]-dimethylazanium.

Molecular Properties

Compound Name[7-(dimethylamino)-5-ethoxy-10-(2-methylphenyl)-5-oxoacridophosphin-3-ylidene]-dimethylazanium
PubChem CID132548960
Molecular FormulaC26H30N2O2P+
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC Name[7-(dimethylamino)-5-ethoxy-10-(2-methylphenyl)-5-oxoacridophosphin-3-ylidene]-dimethylazanium
SMILESCCOP1(=O)C2=CC(=[N+](C)C)C=CC2=C(c2ccccc2C)c2ccc(N(C)C)cc21
InChIInChI=1S/C26H30N2O2P/c1-7-30-31(29)24-16-19(27(3)4)12-14-22(24)26(21-11-9-8-10-18(21)2)23-15-13-20(28(5)6)17-25(23)31/h8-17H,7H2,1-6H3/q+1
InChIKeyQUJRPVIFMRNRDZ-UHFFFAOYSA-N
XLogP4.98
TPSA32.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze [7-(dimethylamino)-5-ethoxy-10-(2-methylphenyl)-5-oxoacridophosphin-3-ylidene]-dimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [7-(dimethylamino)-5-ethoxy-10-(2-methylphenyl)-5-oxoacridophosphin-3-ylidene]-dimethylazanium?
The IUPAC name of [7-(dimethylamino)-5-ethoxy-10-(2-methylphenyl)-5-oxoacridophosphin-3-ylidene]-dimethylazanium (CID 132548960) is [7-(dimethylamino)-5-ethoxy-10-(2-methylphenyl)-5-oxoacridophosphin-3-ylidene]-dimethylazanium.
What is the SMILES notation for [7-(dimethylamino)-5-ethoxy-10-(2-methylphenyl)-5-oxoacridophosphin-3-ylidene]-dimethylazanium?
The canonical SMILES for [7-(dimethylamino)-5-ethoxy-10-(2-methylphenyl)-5-oxoacridophosphin-3-ylidene]-dimethylazanium is CCOP1(=O)C2=CC(=[N+](C)C)C=CC2=C(c2ccccc2C)c2ccc(N(C)C)cc21.
What is the InChIKey of [7-(dimethylamino)-5-ethoxy-10-(2-methylphenyl)-5-oxoacridophosphin-3-ylidene]-dimethylazanium?
The InChIKey is QUJRPVIFMRNRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2P/c1-7-30-31(29)24-16-19(27(3)4)12-14-22(24)26(21-11-9-8-10-18(21)2)23-15-13-20(28(5)6)17-25(23)31/h8-17H,7H2,1-6H3/q+1.
What are the key properties of [7-(dimethylamino)-5-ethoxy-10-(2-methylphenyl)-5-oxoacridophosphin-3-ylidene]-dimethylazanium?
[7-(dimethylamino)-5-ethoxy-10-(2-methylphenyl)-5-oxoacridophosphin-3-ylidene]-dimethylazanium has a molecular weight of 433.51 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(dimethylamino)-5-ethoxy-10-(2-methylphenyl)-5-oxoacridophosphin-3-ylidene]-dimethylazanium is sourced from PubChem (CID 132548960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).