5-[2-[5-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]-6-methyl-1,3-dioxoisoindol-5-yl]-2,6-dimethylisoindole-1,3-dione

C36H26F6N2O5 — CID 59883088

IUPAC5-[2-[5-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]-6-methyl-1,3-dioxoisoindol-5-yl]-2,6-dimethylisoindole-1,3-dione
SMILESCc1ccc(C(c2ccc(O)c(N3C(=O)c4cc(C)c(-c5cc6c(cc5C)C(=O)N(C)C6=O)cc4C3=O)c2)(C(F)(F)F)C(F)(F)F)cc1C
InChIInChI=1S/C36H26F6N2O5/c1-16-6-7-20(10-17(16)2)34(35(37,38)39,36(40,41)42)21-8-9-29(45)28(13-21)44-32(48)25-12-19(4)23(15-27(25)33(44)49)22-14-26-24(11-18(22)3)30(46)43(5)31(26)47/h6-15,45H,1-5H3
InChIKeyYQZKPTONSXKQKS-UHFFFAOYSA-N
MW680.60 g/mol
LogP7.73
Rot. Bonds4

About 5-[2-[5-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]-6-methyl-1,3-dioxoisoindol-5-yl]-2,6-dimethylisoindole-1,3-dione

5-[2-[5-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]-6-methyl-1,3-dioxoisoindol-5-yl]-2,6-dimethylisoindole-1,3-dione (PubChem CID 59883088) has the molecular formula C36H26F6N2O5 and a molecular weight of 680.60 g/mol. Its IUPAC name is 5-[2-[5-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]-6-methyl-1,3-dioxoisoindol-5-yl]-2,6-dimethylisoindole-1,3-dione.

Molecular Properties

Compound Name5-[2-[5-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]-6-methyl-1,3-dioxoisoindol-5-yl]-2,6-dimethylisoindole-1,3-dione
PubChem CID59883088
Molecular FormulaC36H26F6N2O5
Molecular Weight680.60 g/mol
Exact Mass680.17
IUPAC Name5-[2-[5-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]-6-methyl-1,3-dioxoisoindol-5-yl]-2,6-dimethylisoindole-1,3-dione
SMILESCc1ccc(C(c2ccc(O)c(N3C(=O)c4cc(C)c(-c5cc6c(cc5C)C(=O)N(C)C6=O)cc4C3=O)c2)(C(F)(F)F)C(F)(F)F)cc1C
InChIInChI=1S/C36H26F6N2O5/c1-16-6-7-20(10-17(16)2)34(35(37,38)39,36(40,41)42)21-8-9-29(45)28(13-21)44-32(48)25-12-19(4)23(15-27(25)33(44)49)22-14-26-24(11-18(22)3)30(46)43(5)31(26)47/h6-15,45H,1-5H3
InChIKeyYQZKPTONSXKQKS-UHFFFAOYSA-N
XLogP7.73
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.60
LogP ≤ 57.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[2-[5-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]-6-methyl-1,3-dioxoisoindol-5-yl]-2,6-dimethylisoindole-1,3-dione 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-(4-hydroxybiphenyl-3-yl)-4-methyl-1H-isoindole-1,3(2H)-dione
CID 25134257
2,6-Bis(2-hydroxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 628572
N-(2-hydroxy-5-methylphenyl)-1,3-dioxo-2-propyl-5-isoindolecarboxamide
CID 976485
N-(2-hydroxy-5-methylphenyl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 1340719
2-(2-Hydroxyphenyl)-5-[2-(2-hydroxyphenyl)-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione
CID 1126512
5,5'-Carbonylbis[2-(2-hydroxy-4-methylphenyl)-1H-isoindole-1,3(2H)-dione]
CID 2831558
5-(1,3-dioxoisoindol-2-yl)-1-N,3-N-bis(2-hydroxyphenyl)benzene-1,3-dicarboxamide
CID 3500672
4-(1,3-dihydroisoindol-2-ylmethyl)-N-(2-hydroxy-5-phenylphenyl)benzamide
CID 25155163
N,N'-[Hexafluoroisopropylidenebis(6-hydroxy-3,1-phenylene)]bisphthalimide
CID 101779772
2,6-bis(2-hydroxy-5-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone
CID 1366088
3,3'-(1,3,5,7-tetraoxo-5,7-dihydropyrrolo[3,4-f]isoindole-2,6(1H,3H)-diyl)bis(4-hydroxybenzoic acid)
CID 3667921
2-(2-Hydroxy-5-{2,2,2-trifluoro-1-[4-hydroxy-3-(5-nitro-1,3-dioxobenzo[c]azoli n-2-yl)phenyl]-1-(trifluoromethyl)ethyl}phenyl)-5-nitrobenzo[c]azolidine-1,3-d ione
CID 4408076

Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]-6-methyl-1,3-dioxoisoindol-5-yl]-2,6-dimethylisoindole-1,3-dione?
The IUPAC name of 5-[2-[5-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]-6-methyl-1,3-dioxoisoindol-5-yl]-2,6-dimethylisoindole-1,3-dione (CID 59883088) is 5-[2-[5-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]-6-methyl-1,3-dioxoisoindol-5-yl]-2,6-dimethylisoindole-1,3-dione.
What is the SMILES notation for 5-[2-[5-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]-6-methyl-1,3-dioxoisoindol-5-yl]-2,6-dimethylisoindole-1,3-dione?
The canonical SMILES for 5-[2-[5-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]-6-methyl-1,3-dioxoisoindol-5-yl]-2,6-dimethylisoindole-1,3-dione is Cc1ccc(C(c2ccc(O)c(N3C(=O)c4cc(C)c(-c5cc6c(cc5C)C(=O)N(C)C6=O)cc4C3=O)c2)(C(F)(F)F)C(F)(F)F)cc1C.
What is the InChIKey of 5-[2-[5-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]-6-methyl-1,3-dioxoisoindol-5-yl]-2,6-dimethylisoindole-1,3-dione?
The InChIKey is YQZKPTONSXKQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26F6N2O5/c1-16-6-7-20(10-17(16)2)34(35(37,38)39,36(40,41)42)21-8-9-29(45)28(13-21)44-32(48)25-12-19(4)23(15-27(25)33(44)49)22-14-26-24(11-18(22)3)30(46)43(5)31(26)47/h6-15,45H,1-5H3.
What are the key properties of 5-[2-[5-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]-6-methyl-1,3-dioxoisoindol-5-yl]-2,6-dimethylisoindole-1,3-dione?
5-[2-[5-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]-6-methyl-1,3-dioxoisoindol-5-yl]-2,6-dimethylisoindole-1,3-dione has a molecular weight of 680.60 g/mol, XLogP of 7.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-[2-(3,4-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]-6-methyl-1,3-dioxoisoindol-5-yl]-2,6-dimethylisoindole-1,3-dione is sourced from PubChem (CID 59883088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).