1-(4-phenoxazin-10-ylphenyl)pentan-1-one

C23H21NO2 — CID 140927761

IUPAC1-(4-phenoxazin-10-ylphenyl)pentan-1-one
SMILESCCCCC(=O)c1ccc(N2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C23H21NO2/c1-2-3-10-21(25)17-13-15-18(16-14-17)24-19-8-4-6-11-22(19)26-23-12-7-5-9-20(23)24/h4-9,11-16H,2-3,10H2,1H3
InChIKeyVZPICBPBIQGLEM-UHFFFAOYSA-N
MW343.43 g/mol
LogP6.64
Rot. Bonds5

About 1-(4-phenoxazin-10-ylphenyl)pentan-1-one

1-(4-phenoxazin-10-ylphenyl)pentan-1-one (PubChem CID 140927761) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-(4-phenoxazin-10-ylphenyl)pentan-1-one.

Molecular Properties

Compound Name1-(4-phenoxazin-10-ylphenyl)pentan-1-one
PubChem CID140927761
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name1-(4-phenoxazin-10-ylphenyl)pentan-1-one
SMILESCCCCC(=O)c1ccc(N2c3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C23H21NO2/c1-2-3-10-21(25)17-13-15-18(16-14-17)24-19-8-4-6-11-22(19)26-23-12-7-5-9-20(23)24/h4-9,11-16H,2-3,10H2,1H3
InChIKeyVZPICBPBIQGLEM-UHFFFAOYSA-N
XLogP6.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-methyl-4-(2-methyl-4-phenoxazin-10-ylphenyl)phenyl]pentan-1-one
CID 140927726
ethane;1-phenylpentan-1-one
CID 143728184
ethane;10-phenylphenoxazine
CID 123756019
1-[3-methyl-4-(2-methyl-4-phenothiazin-10-ylphenyl)phenyl]pentan-1-one
CID 140927748
1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381
10-[4-(2-ethylhexoxy)phenyl]phenoxazine
CID 59130069
10-(4-fluorophenyl)phenoxazine
CID 141389969
10-[4-[4,6-bis(4-ethylphenyl)-1,3,5-triazin-2-yl]phenyl]phenoxazine
CID 118528361
1-phenylheptadecan-1-one
CID 577626
1-(9H-xanthen-9-yl)pentan-1-one
CID 141493444
[2-[4-(9H-acridin-10-yl)phenyl]-4-(4-methylbenzoyl)-5-(4-phenoxazin-10-ylphenyl)phenyl]-(4-methylphenyl)methanone
CID 157350494
ethane;10-hexylphenoxazine
CID 143421722

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenoxazin-10-ylphenyl)pentan-1-one?
The IUPAC name of 1-(4-phenoxazin-10-ylphenyl)pentan-1-one (CID 140927761) is 1-(4-phenoxazin-10-ylphenyl)pentan-1-one.
What is the SMILES notation for 1-(4-phenoxazin-10-ylphenyl)pentan-1-one?
The canonical SMILES for 1-(4-phenoxazin-10-ylphenyl)pentan-1-one is CCCCC(=O)c1ccc(N2c3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of 1-(4-phenoxazin-10-ylphenyl)pentan-1-one?
The InChIKey is VZPICBPBIQGLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c1-2-3-10-21(25)17-13-15-18(16-14-17)24-19-8-4-6-11-22(19)26-23-12-7-5-9-20(23)24/h4-9,11-16H,2-3,10H2,1H3.
What are the key properties of 1-(4-phenoxazin-10-ylphenyl)pentan-1-one?
1-(4-phenoxazin-10-ylphenyl)pentan-1-one has a molecular weight of 343.43 g/mol, XLogP of 6.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenoxazin-10-ylphenyl)pentan-1-one is sourced from PubChem (CID 140927761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).