5-ethyl-9-methoxy-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione

C23H18N2O3 — CID 11843685

IUPAC5-ethyl-9-methoxy-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione
SMILESCCc1c(-c2ccccc2)c2c(c3c1[nH]c1ccc(OC)cc13)C(=O)NC2=O
InChIInChI=1S/C23H18N2O3/c1-3-14-17(12-7-5-4-6-8-12)19-20(23(27)25-22(19)26)18-15-11-13(28-2)9-10-16(15)24-21(14)18/h4-11,24H,3H2,1-2H3,(H,25,26,27)
InChIKeyYWRJGSYGOJODQG-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.44
Rot. Bonds3

About 5-ethyl-9-methoxy-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione

5-ethyl-9-methoxy-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione (PubChem CID 11843685) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 5-ethyl-9-methoxy-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione.

Molecular Properties

Compound Name5-ethyl-9-methoxy-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione
PubChem CID11843685
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name5-ethyl-9-methoxy-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione
SMILESCCc1c(-c2ccccc2)c2c(c3c1[nH]c1ccc(OC)cc13)C(=O)NC2=O
InChIInChI=1S/C23H18N2O3/c1-3-14-17(12-7-5-4-6-8-12)19-20(23(27)25-22(19)26)18-15-11-13(28-2)9-10-16(15)24-21(14)18/h4-11,24H,3H2,1-2H3,(H,25,26,27)
InChIKeyYWRJGSYGOJODQG-UHFFFAOYSA-N
XLogP4.44
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.44
H-Bond Donors ≤ 52
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 5-ethyl-9-methoxy-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The IUPAC name of 5-ethyl-9-methoxy-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione (CID 11843685) is 5-ethyl-9-methoxy-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione.
What is the SMILES notation for 5-ethyl-9-methoxy-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The canonical SMILES for 5-ethyl-9-methoxy-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione is CCc1c(-c2ccccc2)c2c(c3c1[nH]c1ccc(OC)cc13)C(=O)NC2=O.
What is the InChIKey of 5-ethyl-9-methoxy-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The InChIKey is YWRJGSYGOJODQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c1-3-14-17(12-7-5-4-6-8-12)19-20(23(27)25-22(19)26)18-15-11-13(28-2)9-10-16(15)24-21(14)18/h4-11,24H,3H2,1-2H3,(H,25,26,27).
What are the key properties of 5-ethyl-9-methoxy-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
5-ethyl-9-methoxy-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione has a molecular weight of 370.41 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-9-methoxy-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione is sourced from PubChem (CID 11843685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).