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

C21H14N2O3 — CID 11843144

IUPAC9-hydroxy-4-(3-methylphenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione
SMILESCc1cccc(-c2cc3[nH]c4ccc(O)cc4c3c3c2C(=O)NC3=O)c1
InChIInChI=1S/C21H14N2O3/c1-10-3-2-4-11(7-10)13-9-16-17(19-18(13)20(25)23-21(19)26)14-8-12(24)5-6-15(14)22-16/h2-9,22,24H,1H3,(H,23,25,26)
InChIKeyZRNUCMGCOSFBLJ-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.89
Rot. Bonds1

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

9-hydroxy-4-(3-methylphenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione (PubChem CID 11843144) has the molecular formula C21H14N2O3 and a molecular weight of 342.35 g/mol. Its IUPAC name is 9-hydroxy-4-(3-methylphenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione.

Molecular Properties

Compound Name9-hydroxy-4-(3-methylphenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione
PubChem CID11843144
Molecular FormulaC21H14N2O3
Molecular Weight342.35 g/mol
Exact Mass342.10
IUPAC Name9-hydroxy-4-(3-methylphenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione
SMILESCc1cccc(-c2cc3[nH]c4ccc(O)cc4c3c3c2C(=O)NC3=O)c1
InChIInChI=1S/C21H14N2O3/c1-10-3-2-4-11(7-10)13-9-16-17(19-18(13)20(25)23-21(19)26)14-8-12(24)5-6-15(14)22-16/h2-9,22,24H,1H3,(H,23,25,26)
InChIKeyZRNUCMGCOSFBLJ-UHFFFAOYSA-N
XLogP3.89
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

BE 13793C
CID 9928668
9-Hydroxy-4-phenylpyrrolo[3,4-C]carbazole-1,3(2H,6H)-dione
CID 4369491
GW296115X
CID 5482344
3-(9-hydroxy-1,3-dioxo-4-phenyl-2,3-dihydropyrrolo[3,4-c]carbazol-6(1H)-yl)propanoic acid
CID 9978312
9-Hydroxy-6-(3-hydroxypropyl)-4-(2-methoxyphenyl)pyrrolo(3,4-C)carbazole-1,3(2H,6H)-dione
CID 10364585
Indolocarbazole deriv. 3c
CID 5327850
Indolocarbazole deriv. 3f
CID 5327853
(5-hydroxy-1H-indol-2-yl)(1H-indol-2-yl)methanone
CID 5330535
8-Methoxy-3-methyl-3H-indolo[6,7-a]pyrrolo[3,4-c]carbazole-4,6(5H,11H)-dione
CID 5330730
Indolo[6,7-a]pyrrolo[3,4-c]carbazole deriv. 3t
CID 5330738
Wee1 Inhibitor
CID 10384072
Flt-3 Inhibitor II
CID 11601743

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-4-(3-methylphenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The IUPAC name of 9-hydroxy-4-(3-methylphenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione (CID 11843144) is 9-hydroxy-4-(3-methylphenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione.
What is the SMILES notation for 9-hydroxy-4-(3-methylphenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The canonical SMILES for 9-hydroxy-4-(3-methylphenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione is Cc1cccc(-c2cc3[nH]c4ccc(O)cc4c3c3c2C(=O)NC3=O)c1.
What is the InChIKey of 9-hydroxy-4-(3-methylphenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The InChIKey is ZRNUCMGCOSFBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O3/c1-10-3-2-4-11(7-10)13-9-16-17(19-18(13)20(25)23-21(19)26)14-8-12(24)5-6-15(14)22-16/h2-9,22,24H,1H3,(H,23,25,26).
What are the key properties of 9-hydroxy-4-(3-methylphenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
9-hydroxy-4-(3-methylphenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione has a molecular weight of 342.35 g/mol, XLogP of 3.89, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-4-(3-methylphenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione is sourced from PubChem (CID 11843144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).