2-(9H-carbazol-1-yl)isoindole-1,3-dione

C20H12N2O2 — CID 175293328

IUPAC2-(9H-carbazol-1-yl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C20H12N2O2/c23-19-14-7-1-2-8-15(14)20(24)22(19)17-11-5-9-13-12-6-3-4-10-16(12)21-18(13)17/h1-11,21H
InChIKeyOCEQEHGOVGWRPI-UHFFFAOYSA-N
MW312.33 g/mol
LogP4.12
Rot. Bonds1

About 2-(9H-carbazol-1-yl)isoindole-1,3-dione

2-(9H-carbazol-1-yl)isoindole-1,3-dione (PubChem CID 175293328) has the molecular formula C20H12N2O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-(9H-carbazol-1-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(9H-carbazol-1-yl)isoindole-1,3-dione
PubChem CID175293328
Molecular FormulaC20H12N2O2
Molecular Weight312.33 g/mol
Exact Mass312.09
IUPAC Name2-(9H-carbazol-1-yl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cccc2c1[nH]c1ccccc12
InChIInChI=1S/C20H12N2O2/c23-19-14-7-1-2-8-15(14)20(24)22(19)17-11-5-9-13-12-6-3-4-10-16(12)21-18(13)17/h1-11,21H
InChIKeyOCEQEHGOVGWRPI-UHFFFAOYSA-N
XLogP4.12
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(9H-carbazol-1-yl)pyrrole-2,5-dione
CID 175123803
2-[5-(1,3-dioxoisoindol-2-yl)naphthalen-1-yl]isoindole-1,3-dione
CID 1109044
1-[4-[4-[4-[4-(9H-carbazol-1-yl)phenyl]phenyl]phenyl]phenyl]-9H-carbazole
CID 175958773
1-[2-(9H-carbazol-1-yl)phenyl]-9H-carbazole
CID 66618059
2-(5,10-dihydrocyclohepta[b]indol-4-yl)isoindole-1,3-dione
CID 67621762
9H-carbazole-1-carbaldehyde
CID 11745551
1-[4-(2-bromophenyl)phenyl]-9H-carbazole
CID 175063939
[2-(9H-carbazol-1-yl)phenyl]boronic acid
CID 66887079
bis[4-(9H-carbazol-1-yl)phenyl]diazene
CID 140514298
2,8-bis(9H-carbazol-1-yl)-10-phenyl-5H-phenazine
CID 141471405
1-(6-phenyl-2-pyridinyl)-9H-carbazole
CID 171438775
2-(1,3-dioxoisoindol-4-yl)isoindole-1,3-dione
CID 13202311

Frequently Asked Questions

What is the IUPAC name of 2-(9H-carbazol-1-yl)isoindole-1,3-dione?
The IUPAC name of 2-(9H-carbazol-1-yl)isoindole-1,3-dione (CID 175293328) is 2-(9H-carbazol-1-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(9H-carbazol-1-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(9H-carbazol-1-yl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1cccc2c1[nH]c1ccccc12.
What is the InChIKey of 2-(9H-carbazol-1-yl)isoindole-1,3-dione?
The InChIKey is OCEQEHGOVGWRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2O2/c23-19-14-7-1-2-8-15(14)20(24)22(19)17-11-5-9-13-12-6-3-4-10-16(12)21-18(13)17/h1-11,21H.
What are the key properties of 2-(9H-carbazol-1-yl)isoindole-1,3-dione?
2-(9H-carbazol-1-yl)isoindole-1,3-dione has a molecular weight of 312.33 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-carbazol-1-yl)isoindole-1,3-dione is sourced from PubChem (CID 175293328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).