2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methyl-4-propan-2-ylphenyl]-5-methylphenyl]-5-[1,1,1,3,3,3-hexafluoro-2-(3-methylidene-1-oxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;2-methylpropane

C47H38F18N2O5 — CID 144635374

About 2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methyl-4-propan-2-ylphenyl]-5-methylphenyl]-5-[1,1,1,3,3,3-hexafluoro-2-(3-methylidene-1-oxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;2-methylpropane

2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methyl-4-propan-2-ylphenyl]-5-methylphenyl]-5-[1,1,1,3,3,3-hexafluoro-2-(3-methylidene-1-oxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;2-methylpropane (PubChem CID 144635374) has the molecular formula C47H38F18N2O5 and a molecular weight of 1052.79 g/mol. Its IUPAC name is 2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methyl-4-propan-2-ylphenyl]-5-methylphenyl]-5-[1,1,1,3,3,3-hexafluoro-2-(3-methylidene-1-oxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;2-methylpropane.

Molecular Properties

• Compound Name: 2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methyl-4-propan-2-ylphenyl]-5-methylphenyl]-5-[1,1,1,3,3,3-hexafluoro-2-(3-methylidene-1-oxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;2-methylpropane
• PubChem CID: 144635374
• Molecular Formula: C47H38F18N2O5
• Molecular Weight: 1052.79 g/mol
• Exact Mass: 1052.25
• IUPAC Name: 2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methyl-4-propan-2-ylphenyl]-5-methylphenyl]-5-[1,1,1,3,3,3-hexafluoro-2-(3-methylidene-1-oxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;2-methylpropane
• SMILES: C=C1NC(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(c3cc(C)c(-c5cc(C(O)(C(F)(F)F)C(F)(F)F)c(C(C)C)cc5C)cc3C(O)(C(F)(F)F)C(F)(F)F)C4=O)(C(F)(F)F)C(F)(F)F)cc21.CC(C)C
• InChI: InChI=1S/C43H28F18N2O5.C4H10/c1-16(2)24-10-17(3)25(14-29(24)36(67,40(50,51)52)41(53,54)55)26-15-30(37(68,42(56,57)58)43(59,60)61)31(11-18(26)4)63-33(65)23-9-7-21(13-28(23)34(63)66)35(38(44,45)46,39(47,48)49)20-6-8-22-27(12-20)19(5)62-32(22)64;1-4(2)3/h6-16,67-68H,5H2,1-4H3,(H,62,64);4H,1-3H3
• InChIKey: BJTPUPMKQIEALN-UHFFFAOYSA-N
• XLogP: 13.31
• TPSA: 106.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1052.79
LogP ≤ 5	13.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methyl-4-propan-2-ylphenyl]-5-methylphenyl]-5-[1,1,1,3,3,3-hexafluoro-2-(3-methylidene-1-oxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;2-methylpropane?

The IUPAC name of 2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methyl-4-propan-2-ylphenyl]-5-methylphenyl]-5-[1,1,1,3,3,3-hexafluoro-2-(3-methylidene-1-oxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;2-methylpropane (CID 144635374) is 2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methyl-4-propan-2-ylphenyl]-5-methylphenyl]-5-[1,1,1,3,3,3-hexafluoro-2-(3-methylidene-1-oxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;2-methylpropane.

What is the SMILES notation for 2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methyl-4-propan-2-ylphenyl]-5-methylphenyl]-5-[1,1,1,3,3,3-hexafluoro-2-(3-methylidene-1-oxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;2-methylpropane?

The canonical SMILES for 2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methyl-4-propan-2-ylphenyl]-5-methylphenyl]-5-[1,1,1,3,3,3-hexafluoro-2-(3-methylidene-1-oxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;2-methylpropane is C=C1NC(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(c3cc(C)c(-c5cc(C(O)(C(F)(F)F)C(F)(F)F)c(C(C)C)cc5C)cc3C(O)(C(F)(F)F)C(F)(F)F)C4=O)(C(F)(F)F)C(F)(F)F)cc21.CC(C)C.

What is the InChIKey of 2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methyl-4-propan-2-ylphenyl]-5-methylphenyl]-5-[1,1,1,3,3,3-hexafluoro-2-(3-methylidene-1-oxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;2-methylpropane?

The InChIKey is BJTPUPMKQIEALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28F18N2O5.C4H10/c1-16(2)24-10-17(3)25(14-29(24)36(67,40(50,51)52)41(53,54)55)26-15-30(37(68,42(56,57)58)43(59,60)61)31(11-18(26)4)63-33(65)23-9-7-21(13-28(23)34(63)66)35(38(44,45)46,39(47,48)49)20-6-8-22-27(12-20)19(5)62-32(22)64;1-4(2)3/h6-16,67-68H,5H2,1-4H3,(H,62,64);4H,1-3H3.

What are the key properties of 2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methyl-4-propan-2-ylphenyl]-5-methylphenyl]-5-[1,1,1,3,3,3-hexafluoro-2-(3-methylidene-1-oxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;2-methylpropane?

2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methyl-4-propan-2-ylphenyl]-5-methylphenyl]-5-[1,1,1,3,3,3-hexafluoro-2-(3-methylidene-1-oxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;2-methylpropane has a molecular weight of 1052.79 g/mol, XLogP of 13.31, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-[5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-methyl-4-propan-2-ylphenyl]-5-methylphenyl]-5-[1,1,1,3,3,3-hexafluoro-2-(3-methylidene-1-oxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione;2-methylpropane is sourced from PubChem (CID 144635374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).