4-(dimethylamino)-2-(4-phenoxazin-10-ylphenyl)isoindole-1,3-dione

C28H21N3O3 — CID 122435728

IUPAC4-(dimethylamino)-2-(4-phenoxazin-10-ylphenyl)isoindole-1,3-dione
SMILESCN(C)c1cccc2c1C(=O)N(c1ccc(N3c4ccccc4Oc4ccccc43)cc1)C2=O
InChIInChI=1S/C28H21N3O3/c1-29(2)23-11-7-8-20-26(23)28(33)31(27(20)32)19-16-14-18(15-17-19)30-21-9-3-5-12-24(21)34-25-13-6-4-10-22(25)30/h3-17H,1-2H3
InChIKeyCQMWBWOUCMHDHL-UHFFFAOYSA-N
MW447.49 g/mol
LogP6.13
Rot. Bonds3

About 4-(dimethylamino)-2-(4-phenoxazin-10-ylphenyl)isoindole-1,3-dione

4-(dimethylamino)-2-(4-phenoxazin-10-ylphenyl)isoindole-1,3-dione (PubChem CID 122435728) has the molecular formula C28H21N3O3 and a molecular weight of 447.49 g/mol. Its IUPAC name is 4-(dimethylamino)-2-(4-phenoxazin-10-ylphenyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-(dimethylamino)-2-(4-phenoxazin-10-ylphenyl)isoindole-1,3-dione
PubChem CID122435728
Molecular FormulaC28H21N3O3
Molecular Weight447.49 g/mol
Exact Mass447.16
IUPAC Name4-(dimethylamino)-2-(4-phenoxazin-10-ylphenyl)isoindole-1,3-dione
SMILESCN(C)c1cccc2c1C(=O)N(c1ccc(N3c4ccccc4Oc4ccccc43)cc1)C2=O
InChIInChI=1S/C28H21N3O3/c1-29(2)23-11-7-8-20-26(23)28(33)31(27(20)32)19-16-14-18(15-17-19)30-21-9-3-5-12-24(21)34-25-13-6-4-10-22(25)30/h3-17H,1-2H3
InChIKeyCQMWBWOUCMHDHL-UHFFFAOYSA-N
XLogP6.13
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.49
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;10-phenylphenoxazine
CID 123756019
2-(3-phenoxazin-10-ylphenyl)-5,6-diphenylisoindole-1,3-dione
CID 130395524
2,6-di(phenoxazin-10-yl)anthracene-9,10-dione
CID 144761593
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686
10-(4-fluorophenyl)phenoxazine
CID 141389969
4-methyl-2-phenylisoindole-1,3-dione
CID 12746962
10-(9-methyl-6-phenoxazin-10-ylcarbazol-3-yl)phenoxazine
CID 122608600
10-[4-[3-(4-phenoxazin-10-ylphenyl)sulfonylphenyl]sulfonylphenyl]phenoxazine
CID 122659967
4-(3,6-diphenylcarbazol-9-yl)-2-[4-[4-(3,6-diphenylcarbazol-9-yl)-1,3-dioxoisoindol-2-yl]phenyl]isoindole-1,3-dione
CID 118972399
4-carbazol-9-yl-2-phenylisoindole-1,3-dione
CID 118972355
3,3',7,7'-tetra(phenoxazin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide
CID 155771935
2,2',8,8'-tetra(phenoxazin-10-yl)-5,5'-spirobi[dibenzothiophene] 5-oxide
CID 155771876

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-(4-phenoxazin-10-ylphenyl)isoindole-1,3-dione?
The IUPAC name of 4-(dimethylamino)-2-(4-phenoxazin-10-ylphenyl)isoindole-1,3-dione (CID 122435728) is 4-(dimethylamino)-2-(4-phenoxazin-10-ylphenyl)isoindole-1,3-dione.
What is the SMILES notation for 4-(dimethylamino)-2-(4-phenoxazin-10-ylphenyl)isoindole-1,3-dione?
The canonical SMILES for 4-(dimethylamino)-2-(4-phenoxazin-10-ylphenyl)isoindole-1,3-dione is CN(C)c1cccc2c1C(=O)N(c1ccc(N3c4ccccc4Oc4ccccc43)cc1)C2=O.
What is the InChIKey of 4-(dimethylamino)-2-(4-phenoxazin-10-ylphenyl)isoindole-1,3-dione?
The InChIKey is CQMWBWOUCMHDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3O3/c1-29(2)23-11-7-8-20-26(23)28(33)31(27(20)32)19-16-14-18(15-17-19)30-21-9-3-5-12-24(21)34-25-13-6-4-10-22(25)30/h3-17H,1-2H3.
What are the key properties of 4-(dimethylamino)-2-(4-phenoxazin-10-ylphenyl)isoindole-1,3-dione?
4-(dimethylamino)-2-(4-phenoxazin-10-ylphenyl)isoindole-1,3-dione has a molecular weight of 447.49 g/mol, XLogP of 6.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-(4-phenoxazin-10-ylphenyl)isoindole-1,3-dione is sourced from PubChem (CID 122435728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).