5-[2-[2-deuteriooxy-5-[2-(4-deuteriooxy-3-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;triphenylphosphane

C84H55F12N4O14P — CID 90829852

About 5-[2-[2-deuteriooxy-5-[2-(4-deuteriooxy-3-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;triphenylphosphane

5-[2-[2-deuteriooxy-5-[2-(4-deuteriooxy-3-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;triphenylphosphane (PubChem CID 90829852) has the molecular formula C84H55F12N4O14P and a molecular weight of 1605.34 g/mol. Its IUPAC name is 5-[2-[2-deuteriooxy-5-[2-(4-deuteriooxy-3-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;triphenylphosphane.

Molecular Properties

• Compound Name: 5-[2-[2-deuteriooxy-5-[2-(4-deuteriooxy-3-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;triphenylphosphane
• PubChem CID: 90829852
• Molecular Formula: C84H55F12N4O14P
• Molecular Weight: 1605.34 g/mol
• Exact Mass: 1604.34
• IUPAC Name: 5-[2-[2-deuteriooxy-5-[2-(4-deuteriooxy-3-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;triphenylphosphane
• SMILES: Cc1cc(C(c2ccc(O)c(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c2)(C(F)(F)F)C(F)(F)F)ccc1O.[2H]Oc1ccc(C(c2ccc(O[2H])c(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c2)(C(F)(F)F)C(F)(F)F)cc1C.c1ccc(P(c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/2C33H20F6N2O7.C18H15P/c2*1-15-11-16(3-9-25(15)42)31(32(34,35)36,33(37,38)39)17-4-10-26(43)24(12-17)41-29(46)21-8-6-19(14-23(21)30(41)47)48-18-5-7-20-22(13-18)28(45)40(2)27(20)44;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h2*3-14,42-43H,1-2H3;1-15H/i/hD2
• InChIKey: GPQIHRKMKWWKHZ-ZSJDYOACSA-N
• XLogP: 16.72
• TPSA: 248.90 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 15
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1605.34
LogP ≤ 5	16.72
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-deuteriooxy-5-[2-(4-deuteriooxy-3-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;triphenylphosphane?

The IUPAC name of 5-[2-[2-deuteriooxy-5-[2-(4-deuteriooxy-3-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;triphenylphosphane (CID 90829852) is 5-[2-[2-deuteriooxy-5-[2-(4-deuteriooxy-3-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;triphenylphosphane.

What is the SMILES notation for 5-[2-[2-deuteriooxy-5-[2-(4-deuteriooxy-3-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;triphenylphosphane?

The canonical SMILES for 5-[2-[2-deuteriooxy-5-[2-(4-deuteriooxy-3-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;triphenylphosphane is Cc1cc(C(c2ccc(O)c(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c2)(C(F)(F)F)C(F)(F)F)ccc1O.[2H]Oc1ccc(C(c2ccc(O[2H])c(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c2)(C(F)(F)F)C(F)(F)F)cc1C.c1ccc(P(c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 5-[2-[2-deuteriooxy-5-[2-(4-deuteriooxy-3-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;triphenylphosphane?

The InChIKey is GPQIHRKMKWWKHZ-ZSJDYOACSA-N. The full InChI is InChI=1S/2C33H20F6N2O7.C18H15P/c2*1-15-11-16(3-9-25(15)42)31(32(34,35)36,33(37,38)39)17-4-10-26(43)24(12-17)41-29(46)21-8-6-19(14-23(21)30(41)47)48-18-5-7-20-22(13-18)28(45)40(2)27(20)44;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h2*3-14,42-43H,1-2H3;1-15H/i/hD2.

What are the key properties of 5-[2-[2-deuteriooxy-5-[2-(4-deuteriooxy-3-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;triphenylphosphane?

5-[2-[2-deuteriooxy-5-[2-(4-deuteriooxy-3-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;triphenylphosphane has a molecular weight of 1605.34 g/mol, XLogP of 16.72, 15 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[2-deuteriooxy-5-[2-(4-deuteriooxy-3-methylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;5-[2-[5-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxy-3-methylphenyl)propan-2-yl]-2-hydroxyphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione;triphenylphosphane is sourced from PubChem (CID 90829852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).