5-[2-[2-[4-[4-[9-[4-[4-(dimethylamino)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione

C59H39F6N3O6 — CID 89272597

IUPAC5-[2-[2-[4-[4-[9-[4-[4-(dimethylamino)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(c3ccc(Oc5ccc(C6(c7ccc(Oc8ccc(N(C)C)cc8)cc7)c7ccccc7-c7ccccc76)cc5)cc3)C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O
InChIInChI=1S/C59H39F6N3O6/c1-66(2)38-18-26-42(27-19-38)73-40-22-12-34(13-23-40)56(50-10-6-4-8-44(50)45-9-5-7-11-51(45)56)35-14-24-41(25-15-35)74-43-28-20-39(21-29-43)68-54(71)47-31-17-37(33-49(47)55(68)72)57(58(60,61)62,59(63,64)65)36-16-30-46-48(32-36)53(70)67(3)52(46)69/h4-33H,1-3H3
InChIKeyYUGZQLBNTBWADP-UHFFFAOYSA-N
MW999.96 g/mol
LogP13.14
Rot. Bonds10

About 5-[2-[2-[4-[4-[9-[4-[4-(dimethylamino)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione

5-[2-[2-[4-[4-[9-[4-[4-(dimethylamino)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione (PubChem CID 89272597) has the molecular formula C59H39F6N3O6 and a molecular weight of 999.96 g/mol. Its IUPAC name is 5-[2-[2-[4-[4-[9-[4-[4-(dimethylamino)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5-[2-[2-[4-[4-[9-[4-[4-(dimethylamino)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione
PubChem CID89272597
Molecular FormulaC59H39F6N3O6
Molecular Weight999.96 g/mol
Exact Mass999.27
IUPAC Name5-[2-[2-[4-[4-[9-[4-[4-(dimethylamino)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione
SMILESCN1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(c3ccc(Oc5ccc(C6(c7ccc(Oc8ccc(N(C)C)cc8)cc7)c7ccccc7-c7ccccc76)cc5)cc3)C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O
InChIInChI=1S/C59H39F6N3O6/c1-66(2)38-18-26-42(27-19-38)73-40-22-12-34(13-23-40)56(50-10-6-4-8-44(50)45-9-5-7-11-51(45)56)35-14-24-41(25-15-35)74-43-28-20-39(21-29-43)68-54(71)47-31-17-37(33-49(47)55(68)72)57(58(60,61)62,59(63,64)65)36-16-30-46-48(32-36)53(70)67(3)52(46)69/h4-33H,1-3H3
InChIKeyYUGZQLBNTBWADP-UHFFFAOYSA-N
XLogP13.14
TPSA96.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500999.96
LogP ≤ 513.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[2-[2-[4-[4-[9-[4-[4-(dimethylamino)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[4-[4-[9-[4-[4-(dimethylamino)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione?
The IUPAC name of 5-[2-[2-[4-[4-[9-[4-[4-(dimethylamino)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione (CID 89272597) is 5-[2-[2-[4-[4-[9-[4-[4-(dimethylamino)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione.
What is the SMILES notation for 5-[2-[2-[4-[4-[9-[4-[4-(dimethylamino)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione?
The canonical SMILES for 5-[2-[2-[4-[4-[9-[4-[4-(dimethylamino)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione is CN1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(c3ccc(Oc5ccc(C6(c7ccc(Oc8ccc(N(C)C)cc8)cc7)c7ccccc7-c7ccccc76)cc5)cc3)C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O.
What is the InChIKey of 5-[2-[2-[4-[4-[9-[4-[4-(dimethylamino)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione?
The InChIKey is YUGZQLBNTBWADP-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H39F6N3O6/c1-66(2)38-18-26-42(27-19-38)73-40-22-12-34(13-23-40)56(50-10-6-4-8-44(50)45-9-5-7-11-51(45)56)35-14-24-41(25-15-35)74-43-28-20-39(21-29-43)68-54(71)47-31-17-37(33-49(47)55(68)72)57(58(60,61)62,59(63,64)65)36-16-30-46-48(32-36)53(70)67(3)52(46)69/h4-33H,1-3H3.
What are the key properties of 5-[2-[2-[4-[4-[9-[4-[4-(dimethylamino)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione?
5-[2-[2-[4-[4-[9-[4-[4-(dimethylamino)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione has a molecular weight of 999.96 g/mol, XLogP of 13.14, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-[4-[4-[9-[4-[4-(dimethylamino)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione is sourced from PubChem (CID 89272597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).