2,6-bis(2-nitrophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

C22H10N4O8 — CID 634370

IUPAC2,6-bis(2-nitrophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESO=c1c2cc3c(=O)n(-c4ccccc4[N+](=O)[O-])c(=O)c3cc2c(=O)n1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C22H10N4O8/c27-19-11-9-13-14(22(30)24(21(13)29)16-6-2-4-8-18(16)26(33)34)10-12(11)20(28)23(19)15-5-1-3-7-17(15)25(31)32/h1-10H
InChIKeyYTAHKVDCVPWSDJ-UHFFFAOYSA-N
MW458.34 g/mol
LogP1.71
Rot. Bonds4

About 2,6-bis(2-nitrophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

2,6-bis(2-nitrophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 634370) has the molecular formula C22H10N4O8 and a molecular weight of 458.34 g/mol. Its IUPAC name is 2,6-bis(2-nitrophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name2,6-bis(2-nitrophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID634370
Molecular FormulaC22H10N4O8
Molecular Weight458.34 g/mol
Exact Mass458.05
IUPAC Name2,6-bis(2-nitrophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESO=c1c2cc3c(=O)n(-c4ccccc4[N+](=O)[O-])c(=O)c3cc2c(=O)n1-c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C22H10N4O8/c27-19-11-9-13-14(22(30)24(21(13)29)16-6-2-4-8-18(16)26(33)34)10-12(11)20(28)23(19)15-5-1-3-7-17(15)25(31)32/h1-10H
InChIKeyYTAHKVDCVPWSDJ-UHFFFAOYSA-N
XLogP1.71
TPSA164.42 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.34
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2,6-bis(2-nitrophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methylpropyl)-3-(2-nitrophenyl)quinazolin-4-one
CID 23877553
1-(2-nitrophenyl)phenanthro[9,10-b]pyrrole
CID 150782131
2-(2-nitrophenyl)-5-phenyl-1,2-thiazol-3-one
CID 15294642
4,6-dichloro-2-(2-nitrophenyl)pyridazin-3-one
CID 101357762
2,6-bis(3-nitrophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 635208
6-(2-aminophenyl)-8-bromo-[1]benzofuro[3,2-c]isoquinolin-5-one;8-bromo-6-(2-nitrophenyl)-[1]benzofuro[3,2-c]isoquinolin-5-one
CID 157268687
2-carbazol-9-ylaniline;deuterium monohydride;methane;9-(2-nitrophenyl)carbazole
CID 158863407
6-(4-fluoro-3-nitrophenyl)benzo[d][2]benzazepine-5,7-dione
CID 4592242
2-[2-[4-(dimethylamino)phenyl]ethenyl]-3-(2-nitrophenyl)quinazolin-4-one
CID 2876177
2-(2-nitrophenyl)pyrazol-3-amine
CID 10375626
azanide;1,2-dinitrobenzene;platinum
CID 158959684
2-amino-1-(2-nitrophenyl)-7,8-dihydro-6H-quinoline-4,5-dione
CID 141472511

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2-nitrophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 2,6-bis(2-nitrophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 634370) is 2,6-bis(2-nitrophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 2,6-bis(2-nitrophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 2,6-bis(2-nitrophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is O=c1c2cc3c(=O)n(-c4ccccc4[N+](=O)[O-])c(=O)c3cc2c(=O)n1-c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2,6-bis(2-nitrophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is YTAHKVDCVPWSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H10N4O8/c27-19-11-9-13-14(22(30)24(21(13)29)16-6-2-4-8-18(16)26(33)34)10-12(11)20(28)23(19)15-5-1-3-7-17(15)25(31)32/h1-10H.
What are the key properties of 2,6-bis(2-nitrophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
2,6-bis(2-nitrophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 458.34 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2-nitrophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 634370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).