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

C26H17F3N2O4 — CID 58330925

IUPAC6-[(4-methylphenyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCc1ccc(Cn2c(=O)c3cc4c(=O)n(Cc5ccc(C(F)(F)F)cc5)c(=O)c4cc3c2=O)cc1
InChIInChI=1S/C26H17F3N2O4/c1-14-2-4-15(5-3-14)12-30-22(32)18-10-20-21(11-19(18)23(30)33)25(35)31(24(20)34)13-16-6-8-17(9-7-16)26(27,28)29/h2-11H,12-13H2,1H3
InChIKeyZDYPOMSQZULYHA-UHFFFAOYSA-N
MW478.43 g/mol
LogP3.34
Rot. Bonds4

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

6-[(4-methylphenyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 58330925) has the molecular formula C26H17F3N2O4 and a molecular weight of 478.43 g/mol. Its IUPAC name is 6-[(4-methylphenyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name6-[(4-methylphenyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID58330925
Molecular FormulaC26H17F3N2O4
Molecular Weight478.43 g/mol
Exact Mass478.11
IUPAC Name6-[(4-methylphenyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCc1ccc(Cn2c(=O)c3cc4c(=O)n(Cc5ccc(C(F)(F)F)cc5)c(=O)c4cc3c2=O)cc1
InChIInChI=1S/C26H17F3N2O4/c1-14-2-4-15(5-3-14)12-30-22(32)18-10-20-21(11-19(18)23(30)33)25(35)31(24(20)34)13-16-6-8-17(9-7-16)26(27,28)29/h2-11H,12-13H2,1H3
InChIKeyZDYPOMSQZULYHA-UHFFFAOYSA-N
XLogP3.34
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.43
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylphenyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 6-[(4-methylphenyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 58330925) is 6-[(4-methylphenyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 6-[(4-methylphenyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 6-[(4-methylphenyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is Cc1ccc(Cn2c(=O)c3cc4c(=O)n(Cc5ccc(C(F)(F)F)cc5)c(=O)c4cc3c2=O)cc1.
What is the InChIKey of 6-[(4-methylphenyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is ZDYPOMSQZULYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17F3N2O4/c1-14-2-4-15(5-3-14)12-30-22(32)18-10-20-21(11-19(18)23(30)33)25(35)31(24(20)34)13-16-6-8-17(9-7-16)26(27,28)29/h2-11H,12-13H2,1H3.
What are the key properties of 6-[(4-methylphenyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
6-[(4-methylphenyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 478.43 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylphenyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 58330925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).