9-methoxy-4-(2-methoxy-5-nitrophenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione

C22H15N3O6 — CID 91289981

IUPAC9-methoxy-4-(2-methoxy-5-nitrophenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione
SMILESCOc1ccc2[nH]c3cc(-c4cc([N+](=O)[O-])ccc4OC)c4c(c3c2c1)C(=O)NC4=O
InChIInChI=1S/C22H15N3O6/c1-30-11-4-5-15-14(8-11)18-16(23-15)9-13(19-20(18)22(27)24-21(19)26)12-7-10(25(28)29)3-6-17(12)31-2/h3-9,23H,1-2H3,(H,24,26,27)
InChIKeyJPMZSTOWMISRKO-UHFFFAOYSA-N
MW417.38 g/mol
LogP3.80
Rot. Bonds4

About 9-methoxy-4-(2-methoxy-5-nitrophenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione

9-methoxy-4-(2-methoxy-5-nitrophenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione (PubChem CID 91289981) has the molecular formula C22H15N3O6 and a molecular weight of 417.38 g/mol. Its IUPAC name is 9-methoxy-4-(2-methoxy-5-nitrophenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione.

Molecular Properties

Compound Name9-methoxy-4-(2-methoxy-5-nitrophenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione
PubChem CID91289981
Molecular FormulaC22H15N3O6
Molecular Weight417.38 g/mol
Exact Mass417.10
IUPAC Name9-methoxy-4-(2-methoxy-5-nitrophenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione
SMILESCOc1ccc2[nH]c3cc(-c4cc([N+](=O)[O-])ccc4OC)c4c(c3c2c1)C(=O)NC4=O
InChIInChI=1S/C22H15N3O6/c1-30-11-4-5-15-14(8-11)18-16(23-15)9-13(19-20(18)22(27)24-21(19)26)12-7-10(25(28)29)3-6-17(12)31-2/h3-9,23H,1-2H3,(H,24,26,27)
InChIKeyJPMZSTOWMISRKO-UHFFFAOYSA-N
XLogP3.80
TPSA123.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.38
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-(3,5-dinitrophenyl)-9-methoxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione
CID 86760191
9-methoxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione
CID 11843684
2-(2,5-dimethoxyphenyl)-6-nitro-1H-benzimidazole
CID 110538644
2-(5-chloro-2-methoxyphenyl)-5-nitro-1H-indole-3-carbaldehyde
CID 3778869
2-(3,5-dimethoxyphenyl)-5-(2-methoxy-5-nitrophenyl)-4-phenyl-1H-imidazole
CID 3135745
5-ethyl-9-methoxy-4-phenyl-6H-pyrrolo[3,4-c]carbazole-1,3-dione
CID 11843685
2-methoxy-1-(2-methoxy-6-nitronaphthalen-1-yl)-6-nitronaphthalene
CID 71347660
1,4-dimethoxy-2-(4-nitrophenoxy)benzene
CID 58929090
4-(5-methoxy-2-nitrophenyl)-7-(2-nitrophenyl)isoindole-1,3-dione
CID 14699120
2,4-dimethoxy-1-(4-nitrophenyl)benzene
CID 59205838
4-(2-ethylphenyl)-9-hydroxy-6H-pyrrolo[3,4-c]carbazole-1,3-dione
CID 11842998
2-[1-(5-methoxy-1H-indol-3-yl)ethenyl]-4-nitroaniline
CID 143672301

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-4-(2-methoxy-5-nitrophenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The IUPAC name of 9-methoxy-4-(2-methoxy-5-nitrophenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione (CID 91289981) is 9-methoxy-4-(2-methoxy-5-nitrophenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione.
What is the SMILES notation for 9-methoxy-4-(2-methoxy-5-nitrophenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The canonical SMILES for 9-methoxy-4-(2-methoxy-5-nitrophenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione is COc1ccc2[nH]c3cc(-c4cc([N+](=O)[O-])ccc4OC)c4c(c3c2c1)C(=O)NC4=O.
What is the InChIKey of 9-methoxy-4-(2-methoxy-5-nitrophenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
The InChIKey is JPMZSTOWMISRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O6/c1-30-11-4-5-15-14(8-11)18-16(23-15)9-13(19-20(18)22(27)24-21(19)26)12-7-10(25(28)29)3-6-17(12)31-2/h3-9,23H,1-2H3,(H,24,26,27).
What are the key properties of 9-methoxy-4-(2-methoxy-5-nitrophenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione?
9-methoxy-4-(2-methoxy-5-nitrophenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione has a molecular weight of 417.38 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-4-(2-methoxy-5-nitrophenyl)-6H-pyrrolo[3,4-c]carbazole-1,3-dione is sourced from PubChem (CID 91289981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).