(10-methylacridin-9-ylidene)methoxy-oxo-phenoxyphosphanium

C21H17NO3P+ — CID 18006786

IUPAC(10-methylacridin-9-ylidene)methoxy-oxo-phenoxyphosphanium
SMILESCN1c2ccccc2C(=CO[P+](=O)Oc2ccccc2)c2ccccc21
InChIInChI=1S/C21H17NO3P/c1-22-20-13-7-5-11-17(20)19(18-12-6-8-14-21(18)22)15-24-26(23)25-16-9-3-2-4-10-16/h2-15H,1H3/q+1
InChIKeySRCITCOILRNEKJ-UHFFFAOYSA-N
MW362.35 g/mol
LogP5.91
Rot. Bonds4

About (10-methylacridin-9-ylidene)methoxy-oxo-phenoxyphosphanium

(10-methylacridin-9-ylidene)methoxy-oxo-phenoxyphosphanium (PubChem CID 18006786) has the molecular formula C21H17NO3P+ and a molecular weight of 362.35 g/mol. Its IUPAC name is (10-methylacridin-9-ylidene)methoxy-oxo-phenoxyphosphanium.

Molecular Properties

Compound Name(10-methylacridin-9-ylidene)methoxy-oxo-phenoxyphosphanium
PubChem CID18006786
Molecular FormulaC21H17NO3P+
Molecular Weight362.35 g/mol
Exact Mass362.09
IUPAC Name(10-methylacridin-9-ylidene)methoxy-oxo-phenoxyphosphanium
SMILESCN1c2ccccc2C(=CO[P+](=O)Oc2ccccc2)c2ccccc21
InChIInChI=1S/C21H17NO3P/c1-22-20-13-7-5-11-17(20)19(18-12-6-8-14-21(18)22)15-24-26(23)25-16-9-3-2-4-10-16/h2-15H,1H3/q+1
InChIKeySRCITCOILRNEKJ-UHFFFAOYSA-N
XLogP5.91
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.35
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (10-methylacridin-9-ylidene)methoxy-oxo-phenoxyphosphanium 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 (10-methylacridin-9-ylidene)methoxy-oxo-phenoxyphosphanium?
The IUPAC name of (10-methylacridin-9-ylidene)methoxy-oxo-phenoxyphosphanium (CID 18006786) is (10-methylacridin-9-ylidene)methoxy-oxo-phenoxyphosphanium.
What is the SMILES notation for (10-methylacridin-9-ylidene)methoxy-oxo-phenoxyphosphanium?
The canonical SMILES for (10-methylacridin-9-ylidene)methoxy-oxo-phenoxyphosphanium is CN1c2ccccc2C(=CO[P+](=O)Oc2ccccc2)c2ccccc21.
What is the InChIKey of (10-methylacridin-9-ylidene)methoxy-oxo-phenoxyphosphanium?
The InChIKey is SRCITCOILRNEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3P/c1-22-20-13-7-5-11-17(20)19(18-12-6-8-14-21(18)22)15-24-26(23)25-16-9-3-2-4-10-16/h2-15H,1H3/q+1.
What are the key properties of (10-methylacridin-9-ylidene)methoxy-oxo-phenoxyphosphanium?
(10-methylacridin-9-ylidene)methoxy-oxo-phenoxyphosphanium has a molecular weight of 362.35 g/mol, XLogP of 5.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10-methylacridin-9-ylidene)methoxy-oxo-phenoxyphosphanium is sourced from PubChem (CID 18006786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).