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

C63H47F3N2O6 — CID 23396606

IUPAC5-[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
SMILESCc1ccc(-c2ccc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(C)C6=O)C(F)(F)F)cc4C3=O)c(OC(C)C3c4ccccc4-c4ccccc43)c2)cc1OC(C)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C63H47F3N2O6/c1-34-22-23-37(30-54(34)73-35(2)56-45-18-10-6-14-41(45)42-15-7-11-19-46(42)56)38-24-29-53(55(31-38)74-36(3)57-47-20-12-8-16-43(47)44-17-9-13-21-48(44)57)68-60(71)50-28-26-40(33-52(50)61(68)72)62(4,63(64,65)66)39-25-27-49-51(32-39)59(70)67(5)58(49)69/h6-33,35-36,56-57H,1-5H3
InChIKeyBXPMATPZAUNNLP-UHFFFAOYSA-N
MW985.07 g/mol
LogP13.72
Rot. Bonds10

About 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

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 (PubChem CID 23396606) has the molecular formula C63H47F3N2O6 and a molecular weight of 985.07 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID23396606
Molecular FormulaC63H47F3N2O6
Molecular Weight985.07 g/mol
Exact Mass984.34
IUPAC Name5-[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
SMILESCc1ccc(-c2ccc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(C)C6=O)C(F)(F)F)cc4C3=O)c(OC(C)C3c4ccccc4-c4ccccc43)c2)cc1OC(C)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C63H47F3N2O6/c1-34-22-23-37(30-54(34)73-35(2)56-45-18-10-6-14-41(45)42-15-7-11-19-46(42)56)38-24-29-53(55(31-38)74-36(3)57-47-20-12-8-16-43(47)44-17-9-13-21-48(44)57)68-60(71)50-28-26-40(33-52(50)61(68)72)62(4,63(64,65)66)39-25-27-49-51(32-39)59(70)67(5)58(49)69/h6-33,35-36,56-57H,1-5H3
InChIKeyBXPMATPZAUNNLP-UHFFFAOYSA-N
XLogP13.72
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500985.07
LogP ≤ 513.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 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-(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-[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
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
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
[5-[4-[5-[1,1,1,3,3,3-Hexafluoro-2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]-1,3-dioxoisoindol-2-yl]-3-[4-(1,2,2-trifluoroethenoxy)benzoyl]oxyphenyl]-2-methylphenyl] 4-(1,2,2-trifluoroethenoxy)benzoate
CID 58609112

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(-c2ccc(N3C(=O)c4ccc(C(C)(c5ccc6c(c5)C(=O)N(C)C6=O)C(F)(F)F)cc4C3=O)c(OC(C)C3c4ccccc4-c4ccccc43)c2)cc1OC(C)C1c2ccccc2-c2ccccc21.
What is the InChIKey of 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?
The InChIKey is BXPMATPZAUNNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H47F3N2O6/c1-34-22-23-37(30-54(34)73-35(2)56-45-18-10-6-14-41(45)42-15-7-11-19-46(42)56)38-24-29-53(55(31-38)74-36(3)57-47-20-12-8-16-43(47)44-17-9-13-21-48(44)57)68-60(71)50-28-26-40(33-52(50)61(68)72)62(4,63(64,65)66)39-25-27-49-51(32-39)59(70)67(5)58(49)69/h6-33,35-36,56-57H,1-5H3.
What are the key properties of 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?
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 has a molecular weight of 985.07 g/mol, XLogP of 13.72, 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-[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 is sourced from PubChem (CID 23396606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).