5-naphthalen-1-ylphenanthridin-6-one

C23H15NO — CID 14664079

IUPAC5-naphthalen-1-ylphenanthridin-6-one
SMILESO=c1c2ccccc2c2ccccc2n1-c1cccc2ccccc12
InChIInChI=1S/C23H15NO/c25-23-20-13-4-3-11-18(20)19-12-5-6-14-22(19)24(23)21-15-7-9-16-8-1-2-10-17(16)21/h1-15H
InChIKeyHNUMONPAAPMOCU-UHFFFAOYSA-N
MW321.38 g/mol
LogP5.30
Rot. Bonds1

About 5-naphthalen-1-ylphenanthridin-6-one

5-naphthalen-1-ylphenanthridin-6-one (PubChem CID 14664079) has the molecular formula C23H15NO and a molecular weight of 321.38 g/mol. Its IUPAC name is 5-naphthalen-1-ylphenanthridin-6-one.

Molecular Properties

Compound Name5-naphthalen-1-ylphenanthridin-6-one
PubChem CID14664079
Molecular FormulaC23H15NO
Molecular Weight321.38 g/mol
Exact Mass321.12
IUPAC Name5-naphthalen-1-ylphenanthridin-6-one
SMILESO=c1c2ccccc2c2ccccc2n1-c1cccc2ccccc12
InChIInChI=1S/C23H15NO/c25-23-20-13-4-3-11-18(20)19-12-5-6-14-22(19)24(23)21-15-7-9-16-8-1-2-10-17(16)21/h1-15H
InChIKeyHNUMONPAAPMOCU-UHFFFAOYSA-N
XLogP5.30
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.38
LogP ≤ 55.30
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

6(5H)-Phenanthridinone
CID 1853
Pigment Red 149
CID 62555
Benzamide, N-(1-naphthyl)-4-methyl-
CID 531834
Solvent Yellow 44
CID 75589
14H-benz[4,5]isoquino[2,1-a]perimidin-14-one
CID 81271
4-Amino-N-phenyl-1,8-naphthalimide
CID 202512
N-1-Naphthylbenzamide
CID 69448
6(5h)-Phenanthridinone, 2-amino-
CID 270668
6-Dimethylamino-2-methyl-benzo[de]isoquinoline-1,3-dione
CID 2849973
N-(2-Naphthyl)-1-naphthalenecarboxamide
CID 224149
2-(3-(4-phenyl-5,6-dihydropyridin-1(2H)-yl)propyl)phenanthridin-6(5H)-one
CID 10216071
N-[4-(4-naphthalen-1-ylpiperazin-1-yl)butyl]benzamide
CID 57873520

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-1-ylphenanthridin-6-one?
The IUPAC name of 5-naphthalen-1-ylphenanthridin-6-one (CID 14664079) is 5-naphthalen-1-ylphenanthridin-6-one.
What is the SMILES notation for 5-naphthalen-1-ylphenanthridin-6-one?
The canonical SMILES for 5-naphthalen-1-ylphenanthridin-6-one is O=c1c2ccccc2c2ccccc2n1-c1cccc2ccccc12.
What is the InChIKey of 5-naphthalen-1-ylphenanthridin-6-one?
The InChIKey is HNUMONPAAPMOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NO/c25-23-20-13-4-3-11-18(20)19-12-5-6-14-22(19)24(23)21-15-7-9-16-8-1-2-10-17(16)21/h1-15H.
What are the key properties of 5-naphthalen-1-ylphenanthridin-6-one?
5-naphthalen-1-ylphenanthridin-6-one has a molecular weight of 321.38 g/mol, XLogP of 5.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-1-ylphenanthridin-6-one is sourced from PubChem (CID 14664079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).