1-[3-methyl-4-(2-methyl-4-phenoxazin-10-ylphenyl)phenyl]pentan-1-one

C31H29NO2 — CID 140927726

IUPAC1-[3-methyl-4-(2-methyl-4-phenoxazin-10-ylphenyl)phenyl]pentan-1-one
SMILESCCCCC(=O)c1ccc(-c2ccc(N3c4ccccc4Oc4ccccc43)cc2C)c(C)c1
InChIInChI=1S/C31H29NO2/c1-4-5-12-29(33)23-15-17-25(21(2)19-23)26-18-16-24(20-22(26)3)32-27-10-6-8-13-30(27)34-31-14-9-7-11-28(31)32/h6-11,13-20H,4-5,12H2,1-3H3
InChIKeyFZSOJXGVIPSTBP-UHFFFAOYSA-N
MW447.58 g/mol
LogP8.92
Rot. Bonds6

About 1-[3-methyl-4-(2-methyl-4-phenoxazin-10-ylphenyl)phenyl]pentan-1-one

1-[3-methyl-4-(2-methyl-4-phenoxazin-10-ylphenyl)phenyl]pentan-1-one (PubChem CID 140927726) has the molecular formula C31H29NO2 and a molecular weight of 447.58 g/mol. Its IUPAC name is 1-[3-methyl-4-(2-methyl-4-phenoxazin-10-ylphenyl)phenyl]pentan-1-one.

Molecular Properties

Compound Name1-[3-methyl-4-(2-methyl-4-phenoxazin-10-ylphenyl)phenyl]pentan-1-one
PubChem CID140927726
Molecular FormulaC31H29NO2
Molecular Weight447.58 g/mol
Exact Mass447.22
IUPAC Name1-[3-methyl-4-(2-methyl-4-phenoxazin-10-ylphenyl)phenyl]pentan-1-one
SMILESCCCCC(=O)c1ccc(-c2ccc(N3c4ccccc4Oc4ccccc43)cc2C)c(C)c1
InChIInChI=1S/C31H29NO2/c1-4-5-12-29(33)23-15-17-25(21(2)19-23)26-18-16-24(20-22(26)3)32-27-10-6-8-13-30(27)34-31-14-9-7-11-28(31)32/h6-11,13-20H,4-5,12H2,1-3H3
InChIKeyFZSOJXGVIPSTBP-UHFFFAOYSA-N
XLogP8.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.58
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-phenoxazin-10-ylphenyl)pentan-1-one
CID 140927761
1-[3-methyl-4-(2-methyl-4-phenothiazin-10-ylphenyl)phenyl]pentan-1-one
CID 140927748
1-[3-methyl-4-[2-methyl-4-(N-phenylanilino)phenyl]phenyl]pentan-1-one
CID 140927762
1-(4-bromo-3-methylphenyl)pentan-1-one
CID 54759050
2,6-di(phenoxazin-10-yl)anthracene-9,10-dione
CID 144761593
1-(4-fluoro-3-methylphenyl)pentan-1-one
CID 62619864
10-[9,10-bis(2,4-dimethylphenyl)-6-phenoxazin-10-ylanthracen-2-yl]phenoxazine
CID 59219982
10-[3,4-bis(4-methylphenyl)phenyl]phenoxazine
CID 58251267
10-[3,4-bis(4-ethylphenyl)phenyl]phenoxazine
CID 58251164
1-(3,4-dimethylphenyl)tetradecan-1-one
CID 146006499
1-(3,4-dimethylphenyl)undecan-1-one
CID 114968936
[2-[4-(9H-acridin-10-yl)phenyl]-4-(4-methylbenzoyl)-5-(4-phenoxazin-10-ylphenyl)phenyl]-(4-methylphenyl)methanone
CID 157350494

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-4-(2-methyl-4-phenoxazin-10-ylphenyl)phenyl]pentan-1-one?
The IUPAC name of 1-[3-methyl-4-(2-methyl-4-phenoxazin-10-ylphenyl)phenyl]pentan-1-one (CID 140927726) is 1-[3-methyl-4-(2-methyl-4-phenoxazin-10-ylphenyl)phenyl]pentan-1-one.
What is the SMILES notation for 1-[3-methyl-4-(2-methyl-4-phenoxazin-10-ylphenyl)phenyl]pentan-1-one?
The canonical SMILES for 1-[3-methyl-4-(2-methyl-4-phenoxazin-10-ylphenyl)phenyl]pentan-1-one is CCCCC(=O)c1ccc(-c2ccc(N3c4ccccc4Oc4ccccc43)cc2C)c(C)c1.
What is the InChIKey of 1-[3-methyl-4-(2-methyl-4-phenoxazin-10-ylphenyl)phenyl]pentan-1-one?
The InChIKey is FZSOJXGVIPSTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29NO2/c1-4-5-12-29(33)23-15-17-25(21(2)19-23)26-18-16-24(20-22(26)3)32-27-10-6-8-13-30(27)34-31-14-9-7-11-28(31)32/h6-11,13-20H,4-5,12H2,1-3H3.
What are the key properties of 1-[3-methyl-4-(2-methyl-4-phenoxazin-10-ylphenyl)phenyl]pentan-1-one?
1-[3-methyl-4-(2-methyl-4-phenoxazin-10-ylphenyl)phenyl]pentan-1-one has a molecular weight of 447.58 g/mol, XLogP of 8.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-4-(2-methyl-4-phenoxazin-10-ylphenyl)phenyl]pentan-1-one is sourced from PubChem (CID 140927726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).