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

C24H10F6N2O4 — CID 130470114

IUPAC2,6-bis[2-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESO=c1c2cc3c(=O)n(-c4ccccc4C(F)(F)F)c(=O)c3cc2c(=O)n1-c1ccccc1C(F)(F)F
InChIInChI=1S/C24H10F6N2O4/c25-23(26,27)15-5-1-3-7-17(15)31-19(33)11-9-13-14(10-12(11)20(31)34)22(36)32(21(13)35)18-8-4-2-6-16(18)24(28,29)30/h1-10H
InChIKeyULEWDZLWEYUSOO-UHFFFAOYSA-N
MW504.34 g/mol
LogP3.93
Rot. Bonds2

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

2,6-bis[2-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 130470114) has the molecular formula C24H10F6N2O4 and a molecular weight of 504.34 g/mol. Its IUPAC name is 2,6-bis[2-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name2,6-bis[2-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID130470114
Molecular FormulaC24H10F6N2O4
Molecular Weight504.34 g/mol
Exact Mass504.05
IUPAC Name2,6-bis[2-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESO=c1c2cc3c(=O)n(-c4ccccc4C(F)(F)F)c(=O)c3cc2c(=O)n1-c1ccccc1C(F)(F)F
InChIInChI=1S/C24H10F6N2O4/c25-23(26,27)15-5-1-3-7-17(15)31-19(33)11-9-13-14(10-12(11)20(31)34)22(36)32(21(13)35)18-8-4-2-6-16(18)24(28,29)30/h1-10H
InChIKeyULEWDZLWEYUSOO-UHFFFAOYSA-N
XLogP3.93
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.34
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4,8-bis(trifluoromethyl)-2,6-bis[2-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 87857766
2-amino-3-[2-(trifluoromethyl)phenyl]quinazolin-4-one
CID 154463151
1-(2-methylphenyl)-3,5-bis[2-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4,6-trione
CID 122415452
2-oxo-1-[2-(trifluoromethyl)phenyl]quinoline-3-carbonyl chloride
CID 141109093
2-methyl-4-oxo-3-[2-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidine-6-sulfonamide
CID 19892054
3-[2-(trifluoromethyl)phenyl]-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinazolin-4-one
CID 3525240
4-tert-butyl-3-[2-(trifluoromethyl)phenyl]-1H-imidazol-2-one
CID 81445767
1-(2-methylphenyl)-3-phenyl-5-[2-(trifluoromethyl)phenyl]-1,3,5-triazinane-2,4,6-trione
CID 129192336
3,6-bis(3,5-diphenylphenyl)-9-[2-(trifluoromethyl)phenyl]carbazole
CID 170283657
4-[(2,4-difluorophenyl)iminomethyl]-3-hydroxy-2-[2-(trifluoromethyl)phenyl]isoquinolin-1-one
CID 2312209
2,6-bis(2-nitrophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 634370
4-[(2,5-dichlorophenyl)iminomethyl]-3-hydroxy-2-[2-(trifluoromethyl)phenyl]isoquinolin-1-one
CID 2320257

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[2-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 2,6-bis[2-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 130470114) is 2,6-bis[2-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 2,6-bis[2-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 2,6-bis[2-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is O=c1c2cc3c(=O)n(-c4ccccc4C(F)(F)F)c(=O)c3cc2c(=O)n1-c1ccccc1C(F)(F)F.
What is the InChIKey of 2,6-bis[2-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is ULEWDZLWEYUSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H10F6N2O4/c25-23(26,27)15-5-1-3-7-17(15)31-19(33)11-9-13-14(10-12(11)20(31)34)22(36)32(21(13)35)18-8-4-2-6-16(18)24(28,29)30/h1-10H.
What are the key properties of 2,6-bis[2-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
2,6-bis[2-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 504.34 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[2-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 130470114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).