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

C27H18N2O2 — CID 6483662

IUPAC2-benzyl-6-phenylpyrrolo[3,4-c]carbazole-1,3-dione
SMILESO=C1c2ccc3c(c2C(=O)N1Cc1ccccc1)c1ccccc1n3-c1ccccc1
InChIInChI=1S/C27H18N2O2/c30-26-21-15-16-23-24(25(21)27(31)28(26)17-18-9-3-1-4-10-18)20-13-7-8-14-22(20)29(23)19-11-5-2-6-12-19/h1-16H,17H2
InChIKeyHDBGFMZIABJSRH-UHFFFAOYSA-N
MW402.45 g/mol
LogP5.58
Rot. Bonds3

About 2-benzyl-6-phenylpyrrolo[3,4-c]carbazole-1,3-dione

2-benzyl-6-phenylpyrrolo[3,4-c]carbazole-1,3-dione (PubChem CID 6483662) has the molecular formula C27H18N2O2 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-benzyl-6-phenylpyrrolo[3,4-c]carbazole-1,3-dione.

Molecular Properties

Compound Name2-benzyl-6-phenylpyrrolo[3,4-c]carbazole-1,3-dione
PubChem CID6483662
Molecular FormulaC27H18N2O2
Molecular Weight402.45 g/mol
Exact Mass402.14
IUPAC Name2-benzyl-6-phenylpyrrolo[3,4-c]carbazole-1,3-dione
SMILESO=C1c2ccc3c(c2C(=O)N1Cc1ccccc1)c1ccccc1n3-c1ccccc1
InChIInChI=1S/C27H18N2O2/c30-26-21-15-16-23-24(25(21)27(31)28(26)17-18-9-3-1-4-10-18)20-13-7-8-14-22(20)29(23)19-11-5-2-6-12-19/h1-16H,17H2
InChIKeyHDBGFMZIABJSRH-UHFFFAOYSA-N
XLogP5.58
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.45
LogP ≤ 55.58
H-Bond Donors ≤ 50
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 2-benzyl-6-phenylpyrrolo[3,4-c]carbazole-1,3-dione?
The IUPAC name of 2-benzyl-6-phenylpyrrolo[3,4-c]carbazole-1,3-dione (CID 6483662) is 2-benzyl-6-phenylpyrrolo[3,4-c]carbazole-1,3-dione.
What is the SMILES notation for 2-benzyl-6-phenylpyrrolo[3,4-c]carbazole-1,3-dione?
The canonical SMILES for 2-benzyl-6-phenylpyrrolo[3,4-c]carbazole-1,3-dione is O=C1c2ccc3c(c2C(=O)N1Cc1ccccc1)c1ccccc1n3-c1ccccc1.
What is the InChIKey of 2-benzyl-6-phenylpyrrolo[3,4-c]carbazole-1,3-dione?
The InChIKey is HDBGFMZIABJSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N2O2/c30-26-21-15-16-23-24(25(21)27(31)28(26)17-18-9-3-1-4-10-18)20-13-7-8-14-22(20)29(23)19-11-5-2-6-12-19/h1-16H,17H2.
What are the key properties of 2-benzyl-6-phenylpyrrolo[3,4-c]carbazole-1,3-dione?
2-benzyl-6-phenylpyrrolo[3,4-c]carbazole-1,3-dione has a molecular weight of 402.45 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-phenylpyrrolo[3,4-c]carbazole-1,3-dione is sourced from PubChem (CID 6483662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).