1-(4-methylphenyl)-2-phenanthridin-6-ylethanone

C22H17NO — CID 11616575

IUPAC1-(4-methylphenyl)-2-phenanthridin-6-ylethanone
SMILESCc1ccc(C(=O)Cc2nc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C22H17NO/c1-15-10-12-16(13-11-15)22(24)14-21-19-8-3-2-6-17(19)18-7-4-5-9-20(18)23-21/h2-13H,14H2,1H3
InChIKeyDFIUQFWMZCRATE-UHFFFAOYSA-N
MW311.38 g/mol
LogP5.12
Rot. Bonds3

About 1-(4-methylphenyl)-2-phenanthridin-6-ylethanone

1-(4-methylphenyl)-2-phenanthridin-6-ylethanone (PubChem CID 11616575) has the molecular formula C22H17NO and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-phenanthridin-6-ylethanone.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-phenanthridin-6-ylethanone
PubChem CID11616575
Molecular FormulaC22H17NO
Molecular Weight311.38 g/mol
Exact Mass311.13
IUPAC Name1-(4-methylphenyl)-2-phenanthridin-6-ylethanone
SMILESCc1ccc(C(=O)Cc2nc3ccccc3c3ccccc23)cc1
InChIInChI=1S/C22H17NO/c1-15-10-12-16(13-11-15)22(24)14-21-19-8-3-2-6-17(19)18-7-4-5-9-20(18)23-21/h2-13H,14H2,1H3
InChIKeyDFIUQFWMZCRATE-UHFFFAOYSA-N
XLogP5.12
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.38
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyphenyl)-1-(4-methylphenyl)ethanone
CID 2303827
1-(4-methylphenyl)-3-naphthalen-1-ylpropan-1-one
CID 82185648
phenanthridin-6-ylmethyl 3-(4-methylphenyl)sulfonylpropanoate
CID 8934374
2-indolo[3,2-b]quinoxalin-6-yl-1-(4-methylphenyl)ethanone
CID 43853120
2-(4-methylphenyl)-1-(2-methylquinolin-4-yl)ethanone
CID 105078848
[2-oxo-2-(4-phenylphenyl)ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 5076248
6-(4-methylphenyl)phenanthridine
CID 10707098
2-[2-(4-methylphenyl)-2-oxoethyl]-6,7-diphenyl-4H-imidazo[1,2-b][1,2,4]triazin-3-one
CID 135399557
1-[4-(dimethylamino)phenyl]-2-isoquinolin-1-ylethanone
CID 11529405
2-(2-methylbenzimidazol-1-yl)-1-(4-methylphenyl)ethanone
CID 39917000
benzyl N-[(2S)-3-oxo-4-phenanthridin-6-ylbutan-2-yl]carbamate
CID 162397977
2-[(5-tert-butyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]-1-(4-methylphenyl)ethanone
CID 3227410

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-phenanthridin-6-ylethanone?
The IUPAC name of 1-(4-methylphenyl)-2-phenanthridin-6-ylethanone (CID 11616575) is 1-(4-methylphenyl)-2-phenanthridin-6-ylethanone.
What is the SMILES notation for 1-(4-methylphenyl)-2-phenanthridin-6-ylethanone?
The canonical SMILES for 1-(4-methylphenyl)-2-phenanthridin-6-ylethanone is Cc1ccc(C(=O)Cc2nc3ccccc3c3ccccc23)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-phenanthridin-6-ylethanone?
The InChIKey is DFIUQFWMZCRATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO/c1-15-10-12-16(13-11-15)22(24)14-21-19-8-3-2-6-17(19)18-7-4-5-9-20(18)23-21/h2-13H,14H2,1H3.
What are the key properties of 1-(4-methylphenyl)-2-phenanthridin-6-ylethanone?
1-(4-methylphenyl)-2-phenanthridin-6-ylethanone has a molecular weight of 311.38 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-phenanthridin-6-ylethanone is sourced from PubChem (CID 11616575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).