4-(2,7-dimethoxycarbazol-9-yl)-2-phenylisoindole-1,3-dione

C28H20N2O4 — CID 118972432

IUPAC4-(2,7-dimethoxycarbazol-9-yl)-2-phenylisoindole-1,3-dione
SMILESCOc1ccc2c3ccc(OC)cc3n(-c3cccc4c3C(=O)N(c3ccccc3)C4=O)c2c1
InChIInChI=1S/C28H20N2O4/c1-33-18-11-13-20-21-14-12-19(34-2)16-25(21)30(24(20)15-18)23-10-6-9-22-26(23)28(32)29(27(22)31)17-7-4-3-5-8-17/h3-16H,1-2H3
InChIKeyULWUTXZRVBCEMM-UHFFFAOYSA-N
MW448.48 g/mol
LogP5.60
Rot. Bonds4

About 4-(2,7-dimethoxycarbazol-9-yl)-2-phenylisoindole-1,3-dione

4-(2,7-dimethoxycarbazol-9-yl)-2-phenylisoindole-1,3-dione (PubChem CID 118972432) has the molecular formula C28H20N2O4 and a molecular weight of 448.48 g/mol. Its IUPAC name is 4-(2,7-dimethoxycarbazol-9-yl)-2-phenylisoindole-1,3-dione.

Molecular Properties

Compound Name4-(2,7-dimethoxycarbazol-9-yl)-2-phenylisoindole-1,3-dione
PubChem CID118972432
Molecular FormulaC28H20N2O4
Molecular Weight448.48 g/mol
Exact Mass448.14
IUPAC Name4-(2,7-dimethoxycarbazol-9-yl)-2-phenylisoindole-1,3-dione
SMILESCOc1ccc2c3ccc(OC)cc3n(-c3cccc4c3C(=O)N(c3ccccc3)C4=O)c2c1
InChIInChI=1S/C28H20N2O4/c1-33-18-11-13-20-21-14-12-19(34-2)16-25(21)30(24(20)15-18)23-10-6-9-22-26(23)28(32)29(27(22)31)17-7-4-3-5-8-17/h3-16H,1-2H3
InChIKeyULWUTXZRVBCEMM-UHFFFAOYSA-N
XLogP5.60
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.48
LogP ≤ 55.60
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

4-carbazol-9-yl-2-phenylisoindole-1,3-dione
CID 118972355
4-(2,7-diphenylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione
CID 134233887
4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-phenylisoindole-1,3-dione
CID 158393455
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-[2-(3-methylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione
CID 134234241
4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-phenylisoindole-1,3-dione;4-(3,6-dipyridin-2-ylcarbazol-9-yl)-2-phenylisoindole-1,3-dione;2-phenyl-4-(2-pyridin-2-ylcarbazol-9-yl)isoindole-1,3-dione;2-phenyl-4-(3-pyridin-2-ylcarbazol-9-yl)isoindole-1,3-dione
CID 158393453
4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-(4-phenylphenyl)isoindole-1,3-dione
CID 142280587
2-(3,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione
CID 134233958
4-carbazol-9-yl-2-[4-[4-(4-carbazol-9-yl-1,3-dioxoisoindol-2-yl)-2-methylphenyl]-3-methylphenyl]isoindole-1,3-dione
CID 118972459
4-[2-(4-methylphenyl)-7-phenylcarbazol-9-yl]-2-(2-phenylphenyl)isoindole-1,3-dione
CID 134234149
4-(1-carbazol-9-ylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione
CID 147200789
5-[7-(3,5-dicyanophenyl)-9-[1,3-dioxo-2-(4-phenylphenyl)isoindol-4-yl]carbazol-2-yl]benzene-1,3-dicarbonitrile
CID 134234699

Frequently Asked Questions

What is the IUPAC name of 4-(2,7-dimethoxycarbazol-9-yl)-2-phenylisoindole-1,3-dione?
The IUPAC name of 4-(2,7-dimethoxycarbazol-9-yl)-2-phenylisoindole-1,3-dione (CID 118972432) is 4-(2,7-dimethoxycarbazol-9-yl)-2-phenylisoindole-1,3-dione.
What is the SMILES notation for 4-(2,7-dimethoxycarbazol-9-yl)-2-phenylisoindole-1,3-dione?
The canonical SMILES for 4-(2,7-dimethoxycarbazol-9-yl)-2-phenylisoindole-1,3-dione is COc1ccc2c3ccc(OC)cc3n(-c3cccc4c3C(=O)N(c3ccccc3)C4=O)c2c1.
What is the InChIKey of 4-(2,7-dimethoxycarbazol-9-yl)-2-phenylisoindole-1,3-dione?
The InChIKey is ULWUTXZRVBCEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N2O4/c1-33-18-11-13-20-21-14-12-19(34-2)16-25(21)30(24(20)15-18)23-10-6-9-22-26(23)28(32)29(27(22)31)17-7-4-3-5-8-17/h3-16H,1-2H3.
What are the key properties of 4-(2,7-dimethoxycarbazol-9-yl)-2-phenylisoindole-1,3-dione?
4-(2,7-dimethoxycarbazol-9-yl)-2-phenylisoindole-1,3-dione has a molecular weight of 448.48 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,7-dimethoxycarbazol-9-yl)-2-phenylisoindole-1,3-dione is sourced from PubChem (CID 118972432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).