9-hydroxy-4,5-diphenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione

C26H16N2O3 — CID 11842838

IUPAC9-hydroxy-4,5-diphenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione
SMILESO=C1NC(=O)c2c1c(-c1ccccc1)c(-c1ccccc1)c1[nH]c3ccc(O)cc3c21
InChIInChI=1S/C26H16N2O3/c29-16-11-12-18-17(13-16)21-23-22(25(30)28-26(23)31)19(14-7-3-1-4-8-14)20(24(21)27-18)15-9-5-2-6-10-15/h1-13,27,29H,(H,28,30,31)
InChIKeyDQBYFQXXFBDIBM-UHFFFAOYSA-N
MW404.43 g/mol
LogP5.24
Rot. Bonds2

About 9-hydroxy-4,5-diphenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione

9-hydroxy-4,5-diphenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione (PubChem CID 11842838) has the molecular formula C26H16N2O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is 9-hydroxy-4,5-diphenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione.

Molecular Properties

Compound Name9-hydroxy-4,5-diphenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione
PubChem CID11842838
Molecular FormulaC26H16N2O3
Molecular Weight404.43 g/mol
Exact Mass404.12
IUPAC Name9-hydroxy-4,5-diphenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione
SMILESO=C1NC(=O)c2c1c(-c1ccccc1)c(-c1ccccc1)c1[nH]c3ccc(O)cc3c21
InChIInChI=1S/C26H16N2O3/c29-16-11-12-18-17(13-16)21-23-22(25(30)28-26(23)31)19(14-7-3-1-4-8-14)20(24(21)27-18)15-9-5-2-6-10-15/h1-13,27,29H,(H,28,30,31)
InChIKeyDQBYFQXXFBDIBM-UHFFFAOYSA-N
XLogP5.24
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.43
LogP ≤ 55.24
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 9-hydroxy-4,5-diphenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The IUPAC name of 9-hydroxy-4,5-diphenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione (CID 11842838) is 9-hydroxy-4,5-diphenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione.
What is the SMILES notation for 9-hydroxy-4,5-diphenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The canonical SMILES for 9-hydroxy-4,5-diphenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione is O=C1NC(=O)c2c1c(-c1ccccc1)c(-c1ccccc1)c1[nH]c3ccc(O)cc3c21.
What is the InChIKey of 9-hydroxy-4,5-diphenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The InChIKey is DQBYFQXXFBDIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16N2O3/c29-16-11-12-18-17(13-16)21-23-22(25(30)28-26(23)31)19(14-7-3-1-4-8-14)20(24(21)27-18)15-9-5-2-6-10-15/h1-13,27,29H,(H,28,30,31).
What are the key properties of 9-hydroxy-4,5-diphenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
9-hydroxy-4,5-diphenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione has a molecular weight of 404.43 g/mol, XLogP of 5.24, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-4,5-diphenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione is sourced from PubChem (CID 11842838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).