5-benzyl-2,9-dimethylphenanthridin-6-one

C22H19NO — CID 86257513

IUPAC5-benzyl-2,9-dimethylphenanthridin-6-one
SMILESCc1ccc2c(=O)n(Cc3ccccc3)c3ccc(C)cc3c2c1
InChIInChI=1S/C22H19NO/c1-15-8-10-18-19(12-15)20-13-16(2)9-11-21(20)23(22(18)24)14-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3
InChIKeyBTHNPOUOFJIUHK-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.82
Rot. Bonds2

About 5-benzyl-2,9-dimethylphenanthridin-6-one

5-benzyl-2,9-dimethylphenanthridin-6-one (PubChem CID 86257513) has the molecular formula C22H19NO and a molecular weight of 313.40 g/mol. Its IUPAC name is 5-benzyl-2,9-dimethylphenanthridin-6-one.

Molecular Properties

Compound Name5-benzyl-2,9-dimethylphenanthridin-6-one
PubChem CID86257513
Molecular FormulaC22H19NO
Molecular Weight313.40 g/mol
Exact Mass313.15
IUPAC Name5-benzyl-2,9-dimethylphenanthridin-6-one
SMILESCc1ccc2c(=O)n(Cc3ccccc3)c3ccc(C)cc3c2c1
InChIInChI=1S/C22H19NO/c1-15-8-10-18-19(12-15)20-13-16(2)9-11-21(20)23(22(18)24)14-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3
InChIKeyBTHNPOUOFJIUHK-UHFFFAOYSA-N
XLogP4.82
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-benzyl-2,9-dimethylphenanthridin-6-one 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 5-benzyl-2,9-dimethylphenanthridin-6-one?
The IUPAC name of 5-benzyl-2,9-dimethylphenanthridin-6-one (CID 86257513) is 5-benzyl-2,9-dimethylphenanthridin-6-one.
What is the SMILES notation for 5-benzyl-2,9-dimethylphenanthridin-6-one?
The canonical SMILES for 5-benzyl-2,9-dimethylphenanthridin-6-one is Cc1ccc2c(=O)n(Cc3ccccc3)c3ccc(C)cc3c2c1.
What is the InChIKey of 5-benzyl-2,9-dimethylphenanthridin-6-one?
The InChIKey is BTHNPOUOFJIUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO/c1-15-8-10-18-19(12-15)20-13-16(2)9-11-21(20)23(22(18)24)14-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3.
What are the key properties of 5-benzyl-2,9-dimethylphenanthridin-6-one?
5-benzyl-2,9-dimethylphenanthridin-6-one has a molecular weight of 313.40 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2,9-dimethylphenanthridin-6-one is sourced from PubChem (CID 86257513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).