4-(2-bromophenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione

C20H11BrN2O3 — CID 10386664

IUPAC4-(2-bromophenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione
SMILESO=C1NC(=O)c2c1c(-c1ccccc1Br)cc1[nH]c3ccc(O)cc3c21
InChIInChI=1S/C20H11BrN2O3/c21-13-4-2-1-3-10(13)11-8-15-16(18-17(11)19(25)23-20(18)26)12-7-9(24)5-6-14(12)22-15/h1-8,22,24H,(H,23,25,26)
InChIKeyCLAKPKYHIPFMHD-UHFFFAOYSA-N
MW407.22 g/mol
LogP4.34
Rot. Bonds1

About 4-(2-bromophenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione

4-(2-bromophenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione (PubChem CID 10386664) has the molecular formula C20H11BrN2O3 and a molecular weight of 407.22 g/mol. Its IUPAC name is 4-(2-bromophenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione.

Molecular Properties

Compound Name4-(2-bromophenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione
PubChem CID10386664
Molecular FormulaC20H11BrN2O3
Molecular Weight407.22 g/mol
Exact Mass406.00
IUPAC Name4-(2-bromophenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione
SMILESO=C1NC(=O)c2c1c(-c1ccccc1Br)cc1[nH]c3ccc(O)cc3c21
InChIInChI=1S/C20H11BrN2O3/c21-13-4-2-1-3-10(13)11-8-15-16(18-17(11)19(25)23-20(18)26)12-7-9(24)5-6-14(12)22-15/h1-8,22,24H,(H,23,25,26)
InChIKeyCLAKPKYHIPFMHD-UHFFFAOYSA-N
XLogP4.34
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.22
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The IUPAC name of 4-(2-bromophenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione (CID 10386664) is 4-(2-bromophenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione.
What is the SMILES notation for 4-(2-bromophenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The canonical SMILES for 4-(2-bromophenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione is O=C1NC(=O)c2c1c(-c1ccccc1Br)cc1[nH]c3ccc(O)cc3c21.
What is the InChIKey of 4-(2-bromophenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The InChIKey is CLAKPKYHIPFMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11BrN2O3/c21-13-4-2-1-3-10(13)11-8-15-16(18-17(11)19(25)23-20(18)26)12-7-9(24)5-6-14(12)22-15/h1-8,22,24H,(H,23,25,26).
What are the key properties of 4-(2-bromophenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
4-(2-bromophenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione has a molecular weight of 407.22 g/mol, XLogP of 4.34, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione is sourced from PubChem (CID 10386664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).