4-carbazol-9-yl-2-phenylisoindole-1,3-dione

C26H16N2O2 — CID 118972355

IUPAC4-carbazol-9-yl-2-phenylisoindole-1,3-dione
SMILESO=C1c2cccc(-n3c4ccccc4c4ccccc43)c2C(=O)N1c1ccccc1
InChIInChI=1S/C26H16N2O2/c29-25-20-13-8-16-23(24(20)26(30)27(25)17-9-2-1-3-10-17)28-21-14-6-4-11-18(21)19-12-5-7-15-22(19)28/h1-16H
InChIKeyFUTDIJUFTXUSPE-UHFFFAOYSA-N
MW388.43 g/mol
LogP5.58
Rot. Bonds2

About 4-carbazol-9-yl-2-phenylisoindole-1,3-dione

4-carbazol-9-yl-2-phenylisoindole-1,3-dione (PubChem CID 118972355) has the molecular formula C26H16N2O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 4-carbazol-9-yl-2-phenylisoindole-1,3-dione.

Molecular Properties

Compound Name4-carbazol-9-yl-2-phenylisoindole-1,3-dione
PubChem CID118972355
Molecular FormulaC26H16N2O2
Molecular Weight388.43 g/mol
Exact Mass388.12
IUPAC Name4-carbazol-9-yl-2-phenylisoindole-1,3-dione
SMILESO=C1c2cccc(-n3c4ccccc4c4ccccc43)c2C(=O)N1c1ccccc1
InChIInChI=1S/C26H16N2O2/c29-25-20-13-8-16-23(24(20)26(30)27(25)17-9-2-1-3-10-17)28-21-14-6-4-11-18(21)19-12-5-7-15-22(19)28/h1-16H
InChIKeyFUTDIJUFTXUSPE-UHFFFAOYSA-N
XLogP5.58
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.43
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(1-carbazol-9-ylcarbazol-9-yl)-2-(3-phenylphenyl)isoindole-1,3-dione
CID 147200789
4-(4-benzoylcarbazol-9-yl)-2-phenylisoindole-1,3-dione
CID 138614829
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-(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-(2,7-dimethoxycarbazol-9-yl)-2-phenylisoindole-1,3-dione
CID 118972432
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;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-(3-methylphenyl)carbazol-9-yl]-2-(3-phenylphenyl)isoindole-1,3-dione
CID 134234241
4-[9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-3-yl]-3-methylbenzonitrile
CID 146734854
2-(3,5-diphenylphenyl)-4-[2-(4-methylphenyl)carbazol-9-yl]isoindole-1,3-dione
CID 134233958
4-(2,7-dipyridin-2-ylcarbazol-9-yl)-2-phenylisoindole-1,3-dione
CID 158393455
4-[9-(1,3-dioxo-2-phenylisoindol-4-yl)carbazol-4-yl]-3-methylbenzonitrile
CID 148507420

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-2-phenylisoindole-1,3-dione?
The IUPAC name of 4-carbazol-9-yl-2-phenylisoindole-1,3-dione (CID 118972355) is 4-carbazol-9-yl-2-phenylisoindole-1,3-dione.
What is the SMILES notation for 4-carbazol-9-yl-2-phenylisoindole-1,3-dione?
The canonical SMILES for 4-carbazol-9-yl-2-phenylisoindole-1,3-dione is O=C1c2cccc(-n3c4ccccc4c4ccccc43)c2C(=O)N1c1ccccc1.
What is the InChIKey of 4-carbazol-9-yl-2-phenylisoindole-1,3-dione?
The InChIKey is FUTDIJUFTXUSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N2O2/c29-25-20-13-8-16-23(24(20)26(30)27(25)17-9-2-1-3-10-17)28-21-14-6-4-11-18(21)19-12-5-7-15-22(19)28/h1-16H.
What are the key properties of 4-carbazol-9-yl-2-phenylisoindole-1,3-dione?
4-carbazol-9-yl-2-phenylisoindole-1,3-dione has a molecular weight of 388.43 g/mol, XLogP of 5.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-2-phenylisoindole-1,3-dione is sourced from PubChem (CID 118972355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).