1-[4-(dimethylamino)phenyl]-2-phenanthridin-6-ylethanone

C23H20N2O — CID 11515641

IUPAC1-[4-(dimethylamino)phenyl]-2-phenanthridin-6-ylethanone
SMILESCN(C)c1ccc(C(=O)Cc2nc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C23H20N2O/c1-25(2)17-13-11-16(12-14-17)23(26)15-22-20-9-4-3-7-18(20)19-8-5-6-10-21(19)24-22/h3-14H,15H2,1-2H3
InChIKeyYXUDOLSUGNSQGS-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.88
Rot. Bonds4

About 1-[4-(dimethylamino)phenyl]-2-phenanthridin-6-ylethanone

1-[4-(dimethylamino)phenyl]-2-phenanthridin-6-ylethanone (PubChem CID 11515641) has the molecular formula C23H20N2O and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-2-phenanthridin-6-ylethanone.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-2-phenanthridin-6-ylethanone
PubChem CID11515641
Molecular FormulaC23H20N2O
Molecular Weight340.43 g/mol
Exact Mass340.16
IUPAC Name1-[4-(dimethylamino)phenyl]-2-phenanthridin-6-ylethanone
SMILESCN(C)c1ccc(C(=O)Cc2nc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C23H20N2O/c1-25(2)17-13-11-16(12-14-17)23(26)15-22-20-9-4-3-7-18(20)19-8-5-6-10-21(19)24-22/h3-14H,15H2,1-2H3
InChIKeyYXUDOLSUGNSQGS-UHFFFAOYSA-N
XLogP4.88
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 1-[4-(dimethylamino)phenyl]-2-phenanthridin-6-ylethanone 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 1-[4-(dimethylamino)phenyl]-2-phenanthridin-6-ylethanone?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-2-phenanthridin-6-ylethanone (CID 11515641) is 1-[4-(dimethylamino)phenyl]-2-phenanthridin-6-ylethanone.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-2-phenanthridin-6-ylethanone?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-2-phenanthridin-6-ylethanone is CN(C)c1ccc(C(=O)Cc2nc3ccccc3c3ccccc23)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-2-phenanthridin-6-ylethanone?
The InChIKey is YXUDOLSUGNSQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O/c1-25(2)17-13-11-16(12-14-17)23(26)15-22-20-9-4-3-7-18(20)19-8-5-6-10-21(19)24-22/h3-14H,15H2,1-2H3.
What are the key properties of 1-[4-(dimethylamino)phenyl]-2-phenanthridin-6-ylethanone?
1-[4-(dimethylamino)phenyl]-2-phenanthridin-6-ylethanone has a molecular weight of 340.43 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-2-phenanthridin-6-ylethanone is sourced from PubChem (CID 11515641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).