4-(2-bromo-9H-carbazol-1-yl)isoindole-1,3-dione

C20H11BrN2O2 — CID 138593605

IUPAC4-(2-bromo-9H-carbazol-1-yl)isoindole-1,3-dione
SMILESO=C1NC(=O)c2c1cccc2-c1c(Br)ccc2c1[nH]c1ccccc12
InChIInChI=1S/C20H11BrN2O2/c21-14-9-8-11-10-4-1-2-7-15(10)22-18(11)17(14)12-5-3-6-13-16(12)20(25)23-19(13)24/h1-9,22H,(H,23,24,25)
InChIKeyHBQMAUFMHQEXQR-UHFFFAOYSA-N
MW391.22 g/mol
LogP4.63
Rot. Bonds1

About 4-(2-bromo-9H-carbazol-1-yl)isoindole-1,3-dione

4-(2-bromo-9H-carbazol-1-yl)isoindole-1,3-dione (PubChem CID 138593605) has the molecular formula C20H11BrN2O2 and a molecular weight of 391.22 g/mol. Its IUPAC name is 4-(2-bromo-9H-carbazol-1-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-(2-bromo-9H-carbazol-1-yl)isoindole-1,3-dione
PubChem CID138593605
Molecular FormulaC20H11BrN2O2
Molecular Weight391.22 g/mol
Exact Mass390.00
IUPAC Name4-(2-bromo-9H-carbazol-1-yl)isoindole-1,3-dione
SMILESO=C1NC(=O)c2c1cccc2-c1c(Br)ccc2c1[nH]c1ccccc12
InChIInChI=1S/C20H11BrN2O2/c21-14-9-8-11-10-4-1-2-7-15(10)22-18(11)17(14)12-5-3-6-13-16(12)20(25)23-19(13)24/h1-9,22H,(H,23,24,25)
InChIKeyHBQMAUFMHQEXQR-UHFFFAOYSA-N
XLogP4.63
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.22
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-bromo-9H-carbazol-1-yl)isoindole-1,3-dione with MolForge

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Related Compounds

2-phenyl-1-[2-(2-phenylphenyl)phenyl]-9H-carbazole
CID 175810987
1-[2-(9H-carbazol-1-yl)phenyl]-9H-carbazole
CID 66618059
1-[4-(2-bromophenyl)phenyl]-9H-carbazole
CID 175063939
4,15-diazapentacyclo[12.7.0.02,6.07,12.016,21]henicosa-1(14),2(6),7,9,11,16,18,20-octaene-3,5,13-trione
CID 24763829
3-bromo-2-methyl-1-(2-methylphenyl)-9H-carbazole
CID 142290502
6-hydroxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione
CID 11782794
1-[4-[4-[4-[4-(9H-carbazol-1-yl)phenyl]phenyl]phenyl]phenyl]-9H-carbazole
CID 175958773
6-bromo-3-oxa-13,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione
CID 165437424
7H-benzo[c]carbazole-5,6-dione
CID 11207363
spiro[11H-indeno[2,1-a]carbazole-12,9'-fluorene]
CID 118343947
7,12-dihydroindeno[1,2-a]carbazole
CID 58472013
2-(9H-carbazol-1-yl)isoindole-1,3-dione
CID 175293328

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-9H-carbazol-1-yl)isoindole-1,3-dione?
The IUPAC name of 4-(2-bromo-9H-carbazol-1-yl)isoindole-1,3-dione (CID 138593605) is 4-(2-bromo-9H-carbazol-1-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-(2-bromo-9H-carbazol-1-yl)isoindole-1,3-dione?
The canonical SMILES for 4-(2-bromo-9H-carbazol-1-yl)isoindole-1,3-dione is O=C1NC(=O)c2c1cccc2-c1c(Br)ccc2c1[nH]c1ccccc12.
What is the InChIKey of 4-(2-bromo-9H-carbazol-1-yl)isoindole-1,3-dione?
The InChIKey is HBQMAUFMHQEXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11BrN2O2/c21-14-9-8-11-10-4-1-2-7-15(10)22-18(11)17(14)12-5-3-6-13-16(12)20(25)23-19(13)24/h1-9,22H,(H,23,24,25).
What are the key properties of 4-(2-bromo-9H-carbazol-1-yl)isoindole-1,3-dione?
4-(2-bromo-9H-carbazol-1-yl)isoindole-1,3-dione has a molecular weight of 391.22 g/mol, XLogP of 4.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-9H-carbazol-1-yl)isoindole-1,3-dione is sourced from PubChem (CID 138593605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).