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

C61H43F3N2O6 — CID 23396612

IUPAC5-[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
SMILESCc1ccc(-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
InChIInChI=1S/C61H43F3N2O6/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/h4-31,51-52H,32-33H2,1-3H3
InChIKeyWAGGDGSKTXQGJW-UHFFFAOYSA-N
MW957.02 g/mol
LogP12.94
Rot. Bonds10

About 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

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 (PubChem CID 23396612) has the molecular formula C61H43F3N2O6 and a molecular weight of 957.02 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID23396612
Molecular FormulaC61H43F3N2O6
Molecular Weight957.02 g/mol
Exact Mass956.31
IUPAC Name5-[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
SMILESCc1ccc(-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
InChIInChI=1S/C61H43F3N2O6/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/h4-31,51-52H,32-33H2,1-3H3
InChIKeyWAGGDGSKTXQGJW-UHFFFAOYSA-N
XLogP12.94
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500957.02
LogP ≤ 512.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

7-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-17-methyl-2-oxa-7,17-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),3,5(9),10,13,15(19)-hexaene-6,8,16,18-tetrone
CID 22943203
5-[2-[2-[2-[1-(9H-fluoren-9-yl)ethoxy]-4-[3-[1-(9H-fluoren-9-yl)ethoxy]-4-methylphenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione
CID 23396606
5-[2-[2-[2-(2,2-Diphenylethoxy)-4-[2-[3-(2,2-diphenylethoxy)-4-methylphenyl]-1,1,1-trifluoropropan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione
CID 23396607
5-[2-[2-[2-(2,2-Diphenylethoxy)-4-[[3-(2,2-diphenylethoxy)-4-methylphenyl]methyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione
CID 23396608
5-[2-[2-[2-(2,2-Diphenylethoxy)-4-[3-(2,2-diphenylethoxy)-4-methylphenyl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione
CID 23396609
5-[2-[2-[2-(2,2-Diphenylethoxy)-4-methylphenyl]-1,3-dioxoisoindol-5-yl]-1,1,1-trifluoropropan-2-yl]-2-methylisoindole-1,3-dione
CID 23396611
5-[2-[2-[4-[2-Tert-butyl-4-(4-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione
CID 53863872
2-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 56612456
6-Methyl-2-[4-[4-[1,1,1-trifluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 56617366
5-[1,1,1,3,3,3-Hexafluoro-2-[2-[4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione
CID 57558627
2-Methyl-5-[1,2,2,2-tetrafluoro-1-[2-[4-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]ethyl]isoindole-1,3-dione
CID 58462770
[4-[1,1,1,3,3,3-Hexafluoro-2-[3-[5-[1,1,1,3,3,3-hexafluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]-4-[4-(1,2,2-trifluoroethenoxy)benzoyl]oxyphenyl]propan-2-yl]-2-methylphenyl] 4-(1,2,2-trifluoroethenoxy)benzoate
CID 58609108

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 23396612) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is 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 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?
The InChIKey is WAGGDGSKTXQGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H43F3N2O6/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/h4-31,51-52H,32-33H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 957.02 g/mol, XLogP of 12.94, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 23396612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).