ethane;5-[2-[2-[2-(9H-fluoren-9-ylmethoxy)-4-[3-(9H-fluoren-9-ylmethoxy)-4-methylphenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;methanesulfonic acid

C64H53F3N2O9S — CID 91013674

About ethane;5-[2-[2-[2-(9H-fluoren-9-ylmethoxy)-4-[3-(9H-fluoren-9-ylmethoxy)-4-methylphenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;methanesulfonic acid

ethane;5-[2-[2-[2-(9H-fluoren-9-ylmethoxy)-4-[3-(9H-fluoren-9-ylmethoxy)-4-methylphenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;methanesulfonic acid (PubChem CID 91013674) has the molecular formula C64H53F3N2O9S and a molecular weight of 1083.19 g/mol. Its IUPAC name is ethane;5-[2-[2-[2-(9H-fluoren-9-ylmethoxy)-4-[3-(9H-fluoren-9-ylmethoxy)-4-methylphenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;methanesulfonic acid.

Molecular Properties

• Compound Name: ethane;5-[2-[2-[2-(9H-fluoren-9-ylmethoxy)-4-[3-(9H-fluoren-9-ylmethoxy)-4-methylphenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;methanesulfonic acid
• PubChem CID: 91013674
• Molecular Formula: C64H53F3N2O9S
• Molecular Weight: 1083.19 g/mol
• Exact Mass: 1082.34
• IUPAC Name: ethane;5-[2-[2-[2-(9H-fluoren-9-ylmethoxy)-4-[3-(9H-fluoren-9-ylmethoxy)-4-methylphenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;methanesulfonic acid
• SMILES: CC.CS(=O)(=O)O.Cc1ccc(-c2ccc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(C)C6=O)C(F)(F)F)cc4C3=O)c(OCC3c4ccccc4-c4ccccc43)c2)cc1OCC1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C61H43F3N2O6.C2H6.CH4O3S/c1-34-20-21-35(28-54(34)71-32-51-43-16-8-4-12-39(43)40-13-5-9-17-44(40)51)36-22-27-53(55(29-36)72-33-52-45-18-10-6-14-41(45)42-15-7-11-19-46(42)52)66-58(69)48-26-24-38(31-50(48)59(66)70)60(2,61(62,63)64)37-23-25-47-49(30-37)57(68)65(3)56(47)67;1-2;1-5(2,3)4/h4-31,51-52H,32-33H2,1-3H3;1-2H3;1H3,(H,2,3,4)
• InChIKey: SUIRVAMHFINJMT-UHFFFAOYSA-N
• XLogP: 13.47
• TPSA: 147.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1083.19
LogP ≤ 5	13.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;5-[2-[2-[2-(9H-fluoren-9-ylmethoxy)-4-[3-(9H-fluoren-9-ylmethoxy)-4-methylphenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;methanesulfonic acid?

The IUPAC name of ethane;5-[2-[2-[2-(9H-fluoren-9-ylmethoxy)-4-[3-(9H-fluoren-9-ylmethoxy)-4-methylphenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;methanesulfonic acid (CID 91013674) is ethane;5-[2-[2-[2-(9H-fluoren-9-ylmethoxy)-4-[3-(9H-fluoren-9-ylmethoxy)-4-methylphenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;methanesulfonic acid.

What is the SMILES notation for ethane;5-[2-[2-[2-(9H-fluoren-9-ylmethoxy)-4-[3-(9H-fluoren-9-ylmethoxy)-4-methylphenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;methanesulfonic acid?

The canonical SMILES for ethane;5-[2-[2-[2-(9H-fluoren-9-ylmethoxy)-4-[3-(9H-fluoren-9-ylmethoxy)-4-methylphenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;methanesulfonic acid is CC.CS(=O)(=O)O.Cc1ccc(-c2ccc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(C)C6=O)C(F)(F)F)cc4C3=O)c(OCC3c4ccccc4-c4ccccc43)c2)cc1OCC1c2ccccc2-c2ccccc21.

What is the InChIKey of ethane;5-[2-[2-[2-(9H-fluoren-9-ylmethoxy)-4-[3-(9H-fluoren-9-ylmethoxy)-4-methylphenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;methanesulfonic acid?

The InChIKey is SUIRVAMHFINJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43F3N2O6.C2H6.CH4O3S/c1-34-20-21-35(28-54(34)71-32-51-43-16-8-4-12-39(43)40-13-5-9-17-44(40)51)36-22-27-53(55(29-36)72-33-52-45-18-10-6-14-41(45)42-15-7-11-19-46(42)52)66-58(69)48-26-24-38(31-50(48)59(66)70)60(2,61(62,63)64)37-23-25-47-49(30-37)57(68)65(3)56(47)67;1-2;1-5(2,3)4/h4-31,51-52H,32-33H2,1-3H3;1-2H3;1H3,(H,2,3,4).

What are the key properties of ethane;5-[2-[2-[2-(9H-fluoren-9-ylmethoxy)-4-[3-(9H-fluoren-9-ylmethoxy)-4-methylphenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;methanesulfonic acid?

ethane;5-[2-[2-[2-(9H-fluoren-9-ylmethoxy)-4-[3-(9H-fluoren-9-ylmethoxy)-4-methylphenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;methanesulfonic acid has a molecular weight of 1083.19 g/mol, XLogP of 13.47, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;5-[2-[2-[2-(9H-fluoren-9-ylmethoxy)-4-[3-(9H-fluoren-9-ylmethoxy)-4-methylphenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione;methanesulfonic acid is sourced from PubChem (CID 91013674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).