2-[4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylphenyl]-5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-methyl-4-[2-[3-methyl-4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione

C71H54F6N4O9 — CID 58692155

About 2-[4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylphenyl]-5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-methyl-4-[2-[3-methyl-4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione

2-[4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylphenyl]-5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-methyl-4-[2-[3-methyl-4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione (PubChem CID 58692155) has the molecular formula C71H54F6N4O9 and a molecular weight of 1221.22 g/mol. Its IUPAC name is 2-[4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylphenyl]-5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-methyl-4-[2-[3-methyl-4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-[4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylphenyl]-5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-methyl-4-[2-[3-methyl-4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione
• PubChem CID: 58692155
• Molecular Formula: C71H54F6N4O9
• Molecular Weight: 1221.22 g/mol
• Exact Mass: 1220.38
• IUPAC Name: 2-[4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylphenyl]-5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-methyl-4-[2-[3-methyl-4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione
• SMILES: Cc1ccc(C(C)(C)c2ccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N(c5ccc(C(C)(C)c7ccc(N8C(=O)c9ccc(Oc%10ccc%11c(c%10)C(=O)N(C)C%11=O)cc9C8=O)c(C)c7)cc5C)C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)c(C)c2)cc1C
• InChI: InChI=1S/C71H54F6N4O9/c1-35-11-12-40(27-36(35)2)67(6,7)41-15-24-56(37(3)28-41)79-61(84)49-20-13-44(31-52(49)64(79)87)69(70(72,73)74,71(75,76)77)45-14-21-50-53(32-45)65(88)80(62(50)85)57-25-16-42(29-38(57)4)68(8,9)43-17-26-58(39(5)30-43)81-63(86)51-23-19-47(34-55(51)66(81)89)90-46-18-22-48-54(33-46)60(83)78(10)59(48)82/h11-34H,1-10H3
• InChIKey: YIJMYQSELFBLSS-UHFFFAOYSA-N
• XLogP: 14.71
• TPSA: 158.75 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1221.22
LogP ≤ 5	14.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylphenyl]-5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-methyl-4-[2-[3-methyl-4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione?

The IUPAC name of 2-[4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylphenyl]-5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-methyl-4-[2-[3-methyl-4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione (CID 58692155) is 2-[4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylphenyl]-5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-methyl-4-[2-[3-methyl-4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione.

What is the SMILES notation for 2-[4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylphenyl]-5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-methyl-4-[2-[3-methyl-4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione?

The canonical SMILES for 2-[4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylphenyl]-5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-methyl-4-[2-[3-methyl-4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione is Cc1ccc(C(C)(C)c2ccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N(c5ccc(C(C)(C)c7ccc(N8C(=O)c9ccc(Oc%10ccc%11c(c%10)C(=O)N(C)C%11=O)cc9C8=O)c(C)c7)cc5C)C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)c(C)c2)cc1C.

What is the InChIKey of 2-[4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylphenyl]-5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-methyl-4-[2-[3-methyl-4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione?

The InChIKey is YIJMYQSELFBLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H54F6N4O9/c1-35-11-12-40(27-36(35)2)67(6,7)41-15-24-56(37(3)28-41)79-61(84)49-20-13-44(31-52(49)64(79)87)69(70(72,73)74,71(75,76)77)45-14-21-50-53(32-45)65(88)80(62(50)85)57-25-16-42(29-38(57)4)68(8,9)43-17-26-58(39(5)30-43)81-63(86)51-23-19-47(34-55(51)66(81)89)90-46-18-22-48-54(33-46)60(83)78(10)59(48)82/h11-34H,1-10H3.

What are the key properties of 2-[4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylphenyl]-5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-methyl-4-[2-[3-methyl-4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione?

2-[4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylphenyl]-5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-methyl-4-[2-[3-methyl-4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione has a molecular weight of 1221.22 g/mol, XLogP of 14.71, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-(3,4-dimethylphenyl)propan-2-yl]-2-methylphenyl]-5-[1,1,1,3,3,3-hexafluoro-2-[2-[2-methyl-4-[2-[3-methyl-4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 58692155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).