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

C22H16N2O3 — CID 11842998

IUPAC4-(2-ethylphenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione
SMILESCCc1ccccc1-c1cc2[nH]c3ccc(O)cc3c2c2c1C(=O)NC2=O
InChIInChI=1S/C22H16N2O3/c1-2-11-5-3-4-6-13(11)14-10-17-18(20-19(14)21(26)24-22(20)27)15-9-12(25)7-8-16(15)23-17/h3-10,23,25H,2H2,1H3,(H,24,26,27)
InChIKeyVHZCSJMSHGGKLM-UHFFFAOYSA-N
MW356.38 g/mol
LogP4.14
Rot. Bonds2

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

4-(2-ethylphenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione (PubChem CID 11842998) has the molecular formula C22H16N2O3 and a molecular weight of 356.38 g/mol. Its IUPAC name is 4-(2-ethylphenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione.

Molecular Properties

Compound Name4-(2-ethylphenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione
PubChem CID11842998
Molecular FormulaC22H16N2O3
Molecular Weight356.38 g/mol
Exact Mass356.12
IUPAC Name4-(2-ethylphenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione
SMILESCCc1ccccc1-c1cc2[nH]c3ccc(O)cc3c2c2c1C(=O)NC2=O
InChIInChI=1S/C22H16N2O3/c1-2-11-5-3-4-6-13(11)14-10-17-18(20-19(14)21(26)24-22(20)27)15-9-12(25)7-8-16(15)23-17/h3-10,23,25H,2H2,1H3,(H,24,26,27)
InChIKeyVHZCSJMSHGGKLM-UHFFFAOYSA-N
XLogP4.14
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 54.14
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-ethylphenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The IUPAC name of 4-(2-ethylphenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione (CID 11842998) is 4-(2-ethylphenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione.
What is the SMILES notation for 4-(2-ethylphenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The canonical SMILES for 4-(2-ethylphenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione is CCc1ccccc1-c1cc2[nH]c3ccc(O)cc3c2c2c1C(=O)NC2=O.
What is the InChIKey of 4-(2-ethylphenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The InChIKey is VHZCSJMSHGGKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O3/c1-2-11-5-3-4-6-13(11)14-10-17-18(20-19(14)21(26)24-22(20)27)15-9-12(25)7-8-16(15)23-17/h3-10,23,25H,2H2,1H3,(H,24,26,27).
What are the key properties of 4-(2-ethylphenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
4-(2-ethylphenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione has a molecular weight of 356.38 g/mol, XLogP of 4.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylphenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione is sourced from PubChem (CID 11842998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).