5-(3,4-diacetylphenyl)-2-[4-[9-[4-[5-[2-(3,4-diacetylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione

C66H44F6N2O8 — CID 20657100

IUPAC5-(3,4-diacetylphenyl)-2-[4-[9-[4-[5-[2-(3,4-diacetylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione
SMILESCC(=O)c1ccc(-c2ccc3c(c2)C(=O)N(c2ccc(C4(c5ccc(N6C(=O)c7ccc(C(c8ccc(C(C)=O)c(C(C)=O)c8)(C(F)(F)F)C(F)(F)F)cc7C6=O)c(C)c5)c5ccccc5-c5ccccc54)cc2C)C3=O)cc1C(C)=O
InChIInChI=1S/C66H44F6N2O8/c1-33-27-41(19-25-57(33)73-59(79)49-22-16-40(30-53(49)61(73)81)39-15-21-45(35(3)75)51(29-39)37(5)77)63(55-13-9-7-11-47(55)48-12-8-10-14-56(48)63)42-20-26-58(34(2)28-42)74-60(80)50-24-18-44(32-54(50)62(74)82)64(65(67,68)69,66(70,71)72)43-17-23-46(36(4)76)52(31-43)38(6)78/h7-32H,1-6H3
InChIKeyIMQQRJVIDXOTAQ-UHFFFAOYSA-N
MW1107.07 g/mol
LogP14.16
Rot. Bonds11

About 5-(3,4-diacetylphenyl)-2-[4-[9-[4-[5-[2-(3,4-diacetylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione

5-(3,4-diacetylphenyl)-2-[4-[9-[4-[5-[2-(3,4-diacetylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione (PubChem CID 20657100) has the molecular formula C66H44F6N2O8 and a molecular weight of 1107.07 g/mol. Its IUPAC name is 5-(3,4-diacetylphenyl)-2-[4-[9-[4-[5-[2-(3,4-diacetylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-(3,4-diacetylphenyl)-2-[4-[9-[4-[5-[2-(3,4-diacetylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione
PubChem CID20657100
Molecular FormulaC66H44F6N2O8
Molecular Weight1107.07 g/mol
Exact Mass1106.30
IUPAC Name5-(3,4-diacetylphenyl)-2-[4-[9-[4-[5-[2-(3,4-diacetylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione
SMILESCC(=O)c1ccc(-c2ccc3c(c2)C(=O)N(c2ccc(C4(c5ccc(N6C(=O)c7ccc(C(c8ccc(C(C)=O)c(C(C)=O)c8)(C(F)(F)F)C(F)(F)F)cc7C6=O)c(C)c5)c5ccccc5-c5ccccc54)cc2C)C3=O)cc1C(C)=O
InChIInChI=1S/C66H44F6N2O8/c1-33-27-41(19-25-57(33)73-59(79)49-22-16-40(30-53(49)61(73)81)39-15-21-45(35(3)75)51(29-39)37(5)77)63(55-13-9-7-11-47(55)48-12-8-10-14-56(48)63)42-20-26-58(34(2)28-42)74-60(80)50-24-18-44(32-54(50)62(74)82)64(65(67,68)69,66(70,71)72)43-17-23-46(36(4)76)52(31-43)38(6)78/h7-32H,1-6H3
InChIKeyIMQQRJVIDXOTAQ-UHFFFAOYSA-N
XLogP14.16
TPSA143.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001107.07
LogP ≤ 514.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-(3,4-diacetylphenyl)-2-[4-[9-[4-[5-[2-(3,4-diacetylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-diacetylphenyl)-2-[4-[9-[4-[5-[2-(3,4-diacetylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione?
The IUPAC name of 5-(3,4-diacetylphenyl)-2-[4-[9-[4-[5-[2-(3,4-diacetylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione (CID 20657100) is 5-(3,4-diacetylphenyl)-2-[4-[9-[4-[5-[2-(3,4-diacetylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione.
What is the SMILES notation for 5-(3,4-diacetylphenyl)-2-[4-[9-[4-[5-[2-(3,4-diacetylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione?
The canonical SMILES for 5-(3,4-diacetylphenyl)-2-[4-[9-[4-[5-[2-(3,4-diacetylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione is CC(=O)c1ccc(-c2ccc3c(c2)C(=O)N(c2ccc(C4(c5ccc(N6C(=O)c7ccc(C(c8ccc(C(C)=O)c(C(C)=O)c8)(C(F)(F)F)C(F)(F)F)cc7C6=O)c(C)c5)c5ccccc5-c5ccccc54)cc2C)C3=O)cc1C(C)=O.
What is the InChIKey of 5-(3,4-diacetylphenyl)-2-[4-[9-[4-[5-[2-(3,4-diacetylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione?
The InChIKey is IMQQRJVIDXOTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44F6N2O8/c1-33-27-41(19-25-57(33)73-59(79)49-22-16-40(30-53(49)61(73)81)39-15-21-45(35(3)75)51(29-39)37(5)77)63(55-13-9-7-11-47(55)48-12-8-10-14-56(48)63)42-20-26-58(34(2)28-42)74-60(80)50-24-18-44(32-54(50)62(74)82)64(65(67,68)69,66(70,71)72)43-17-23-46(36(4)76)52(31-43)38(6)78/h7-32H,1-6H3.
What are the key properties of 5-(3,4-diacetylphenyl)-2-[4-[9-[4-[5-[2-(3,4-diacetylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione?
5-(3,4-diacetylphenyl)-2-[4-[9-[4-[5-[2-(3,4-diacetylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione has a molecular weight of 1107.07 g/mol, XLogP of 14.16, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-diacetylphenyl)-2-[4-[9-[4-[5-[2-(3,4-diacetylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dioxoisoindol-2-yl]-3-methylphenyl]fluoren-9-yl]-2-methylphenyl]isoindole-1,3-dione is sourced from PubChem (CID 20657100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).