6-ethyl-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione

C22H16N2O2 — CID 14677288

IUPAC6-ethyl-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione
SMILESCCn1c2ccccc2c2c3c(c(-c4ccccc4)cc21)C(=O)NC3=O
InChIInChI=1S/C22H16N2O2/c1-2-24-16-11-7-6-10-14(16)18-17(24)12-15(13-8-4-3-5-9-13)19-20(18)22(26)23-21(19)25/h3-12H,2H2,1H3,(H,23,25,26)
InChIKeyMEUOADLDXKQIEP-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.36
Rot. Bonds2

About 6-ethyl-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione

6-ethyl-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione (PubChem CID 14677288) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 6-ethyl-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione.

Molecular Properties

Compound Name6-ethyl-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione
PubChem CID14677288
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name6-ethyl-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione
SMILESCCn1c2ccccc2c2c3c(c(-c4ccccc4)cc21)C(=O)NC3=O
InChIInChI=1S/C22H16N2O2/c1-2-24-16-11-7-6-10-14(16)18-17(24)12-15(13-8-4-3-5-9-13)19-20(18)22(26)23-21(19)25/h3-12H,2H2,1H3,(H,23,25,26)
InChIKeyMEUOADLDXKQIEP-UHFFFAOYSA-N
XLogP4.36
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.36
H-Bond Donors ≤ 51
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 6-ethyl-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione?
The IUPAC name of 6-ethyl-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione (CID 14677288) is 6-ethyl-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione.
What is the SMILES notation for 6-ethyl-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione?
The canonical SMILES for 6-ethyl-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione is CCn1c2ccccc2c2c3c(c(-c4ccccc4)cc21)C(=O)NC3=O.
What is the InChIKey of 6-ethyl-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione?
The InChIKey is MEUOADLDXKQIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c1-2-24-16-11-7-6-10-14(16)18-17(24)12-15(13-8-4-3-5-9-13)19-20(18)22(26)23-21(19)25/h3-12H,2H2,1H3,(H,23,25,26).
What are the key properties of 6-ethyl-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione?
6-ethyl-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione has a molecular weight of 340.38 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-phenylpyrrolo[3,4-c]carbazole-1,3-dione is sourced from PubChem (CID 14677288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).