5-[2-[2-[2,6-dimethyl-4-[9-(3,4,5-trimethylphenyl)fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione

C50H36F6N2O4 — CID 22978860

IUPAC5-[2-[2-[2,6-dimethyl-4-[9-(3,4,5-trimethylphenyl)fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione
SMILESCc1cc(C2(c3cc(C)c(N4C(=O)c5ccc(C(c6ccc7c(c6)C(=O)N(C)C7=O)(C(F)(F)F)C(F)(F)F)cc5C4=O)c(C)c3)c3ccccc3-c3ccccc32)cc(C)c1C
InChIInChI=1S/C50H36F6N2O4/c1-25-19-32(20-26(2)29(25)5)47(40-13-9-7-11-34(40)35-12-8-10-14-41(35)47)33-21-27(3)42(28(4)22-33)58-45(61)37-18-16-31(24-39(37)46(58)62)48(49(51,52)53,50(54,55)56)30-15-17-36-38(23-30)44(60)57(6)43(36)59/h7-24H,1-6H3
InChIKeyJDVNDSPLMXOFHX-UHFFFAOYSA-N
MW842.84 g/mol
LogP11.03
Rot. Bonds5

About 5-[2-[2-[2,6-dimethyl-4-[9-(3,4,5-trimethylphenyl)fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione

5-[2-[2-[2,6-dimethyl-4-[9-(3,4,5-trimethylphenyl)fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione (PubChem CID 22978860) has the molecular formula C50H36F6N2O4 and a molecular weight of 842.84 g/mol. Its IUPAC name is 5-[2-[2-[2,6-dimethyl-4-[9-(3,4,5-trimethylphenyl)fluoren-9-yl]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-[2,6-dimethyl-4-[9-(3,4,5-trimethylphenyl)fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione
PubChem CID22978860
Molecular FormulaC50H36F6N2O4
Molecular Weight842.84 g/mol
Exact Mass842.26
IUPAC Name5-[2-[2-[2,6-dimethyl-4-[9-(3,4,5-trimethylphenyl)fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione
SMILESCc1cc(C2(c3cc(C)c(N4C(=O)c5ccc(C(c6ccc7c(c6)C(=O)N(C)C7=O)(C(F)(F)F)C(F)(F)F)cc5C4=O)c(C)c3)c3ccccc3-c3ccccc32)cc(C)c1C
InChIInChI=1S/C50H36F6N2O4/c1-25-19-32(20-26(2)29(25)5)47(40-13-9-7-11-34(40)35-12-8-10-14-41(35)47)33-21-27(3)42(28(4)22-33)58-45(61)37-18-16-31(24-39(37)46(58)62)48(49(51,52)53,50(54,55)56)30-15-17-36-38(23-30)44(60)57(6)43(36)59/h7-24H,1-6H3
InChIKeyJDVNDSPLMXOFHX-UHFFFAOYSA-N
XLogP11.03
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.84
LogP ≤ 511.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[2-[2-[2,6-dimethyl-4-[9-(3,4,5-trimethylphenyl)fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione with MolForge

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Related Compounds

5,5'-(Hexafluoroisopropylidene)bis(2-phenylisoindoline-1,3-dione)
CID 2179822
2,2'-[(1,1,1,3,3,3-hexafluoro-2,2-propanediyl)di-4,1-phenylene]bis(1H-isoindole-1,3(2H)-dione)
CID 2179823
5-[2-[1,3-dioxo-2-[4-(N-pyren-1-ylanilino)phenyl]isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[4-(N-pyren-1-ylanilino)phenyl]isoindole-1,3-dione
CID 102443163
5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-(N-naphthalen-1-ylanilino)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-[4-(N-naphthalen-1-ylanilino)phenyl]isoindole-1,3-dione
CID 102443165
5-Naphthalen-2-yl-2-[4-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 139094581
(2E)-1'-benzyl-2-(1-benzyl-5-methyl-2-oxoindol-3-ylidene)-5'-fluorospiro[indene-3,3'-indole]-1,2'-dione
CID 166446904
5,5'-(1,1,1,3,3,3-hexafluoro-2,2-propanediyl)bis[2-(4-benzoylphenyl)-1H-isoindole-1,3(2H)-dione]
CID 45926779
Phthalimide, 4,4'-(hexafluorotrimethylene)bis[N-phenyl-
CID 636075
N-(2,2,2-trifluoroethyl)-9-[3-[5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]-2,3-dihydroindol-1-yl]propyl]fluorene-9-carboxamide
CID 10122931
5-[2-[1,3-Dioxo-2-[3-(2-phenylethynyl)phenyl]isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-[3-(2-phenylethynyl)phenyl]isoindole-1,3-dione
CID 13431774
5,5'-[Bis(trifluoromethyl)methylene]bis[2-(3-ethynylphenyl)-2H-isoindole-1,3-dione]
CID 13431775
9,9-Bis{4-(4-fluorophthalimido)phenyl}fluorene
CID 15300702

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[2,6-dimethyl-4-[9-(3,4,5-trimethylphenyl)fluoren-9-yl]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-[2,6-dimethyl-4-[9-(3,4,5-trimethylphenyl)fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione (CID 22978860) is 5-[2-[2-[2,6-dimethyl-4-[9-(3,4,5-trimethylphenyl)fluoren-9-yl]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-[2,6-dimethyl-4-[9-(3,4,5-trimethylphenyl)fluoren-9-yl]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-[2,6-dimethyl-4-[9-(3,4,5-trimethylphenyl)fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione is Cc1cc(C2(c3cc(C)c(N4C(=O)c5ccc(C(c6ccc7c(c6)C(=O)N(C)C7=O)(C(F)(F)F)C(F)(F)F)cc5C4=O)c(C)c3)c3ccccc3-c3ccccc32)cc(C)c1C.
What is the InChIKey of 5-[2-[2-[2,6-dimethyl-4-[9-(3,4,5-trimethylphenyl)fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione?
The InChIKey is JDVNDSPLMXOFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36F6N2O4/c1-25-19-32(20-26(2)29(25)5)47(40-13-9-7-11-34(40)35-12-8-10-14-41(35)47)33-21-27(3)42(28(4)22-33)58-45(61)37-18-16-31(24-39(37)46(58)62)48(49(51,52)53,50(54,55)56)30-15-17-36-38(23-30)44(60)57(6)43(36)59/h7-24H,1-6H3.
What are the key properties of 5-[2-[2-[2,6-dimethyl-4-[9-(3,4,5-trimethylphenyl)fluoren-9-yl]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione?
5-[2-[2-[2,6-dimethyl-4-[9-(3,4,5-trimethylphenyl)fluoren-9-yl]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 842.84 g/mol, XLogP of 11.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-[2,6-dimethyl-4-[9-(3,4,5-trimethylphenyl)fluoren-9-yl]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 22978860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).