5-[2-[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione

C51H30F6N4O10 — CID 58300660

IUPAC5-[2-[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione
SMILESCc1ccc(C(c2ccc(C)c(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c2)(C(F)(F)F)C(F)(F)F)cc1N1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O
InChIInChI=1S/C51H30F6N4O10/c1-23-5-7-25(17-39(23)60-45(66)33-15-11-29(21-37(33)47(60)68)70-27-9-13-31-35(19-27)43(64)58(3)41(31)62)49(50(52,53)54,51(55,56)57)26-8-6-24(2)40(18-26)61-46(67)34-16-12-30(22-38(34)48(61)69)71-28-10-14-32-36(20-28)44(65)59(4)42(32)63/h5-22H,1-4H3
InChIKeyZWCQVXWEXCDAOL-UHFFFAOYSA-N
MW972.81 g/mol
LogP9.35
Rot. Bonds8

About 5-[2-[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione

5-[2-[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione (PubChem CID 58300660) has the molecular formula C51H30F6N4O10 and a molecular weight of 972.81 g/mol. Its IUPAC name is 5-[2-[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione.

Molecular Properties

Compound Name5-[2-[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione
PubChem CID58300660
Molecular FormulaC51H30F6N4O10
Molecular Weight972.81 g/mol
Exact Mass972.19
IUPAC Name5-[2-[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione
SMILESCc1ccc(C(c2ccc(C)c(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c2)(C(F)(F)F)C(F)(F)F)cc1N1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O
InChIInChI=1S/C51H30F6N4O10/c1-23-5-7-25(17-39(23)60-45(66)33-15-11-29(21-37(33)47(60)68)70-27-9-13-31-35(19-27)43(64)58(3)41(31)62)49(50(52,53)54,51(55,56)57)26-8-6-24(2)40(18-26)61-46(67)34-16-12-30(22-38(34)48(61)69)71-28-10-14-32-36(20-28)44(65)59(4)42(32)63/h5-22H,1-4H3
InChIKeyZWCQVXWEXCDAOL-UHFFFAOYSA-N
XLogP9.35
TPSA167.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500972.81
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 5-[2-[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione with MolForge

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Related Compounds

2-(2-Methyl-3-phenylphenyl)-5-[(4-propan-2-ylphenyl)methoxy]isoindole-1,3-dione
CID 156771389
5,5'-(1,1,1,3,3,3-hexafluoro-2,2-propanediyl)bis[2-(4-phenoxyphenyl)-1H-isoindole-1,3(2H)-dione]
CID 45926778
2-(4-{4-[1-{4-[4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)phenoxy]phenyl}-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]phenoxy}phenyl)-1H-isoindole-1,3(2H)-dione
CID 9540274
5-[1,1,1,3,3,3-Hexafluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione
CID 18714643
2-Methyl-5-[2-[3-[3-[3-methyl-5-(trifluoromethyl)phenoxy]-5-(trifluoromethyl)phenoxy]-5-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
CID 18730833
2-Methyl-5-[2-[3-[3-[3-methyl-5-(trifluoromethyl)phenoxy]phenoxy]-5-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
CID 18730834
2-Methyl-5-[2-[3-[3-(3-methylphenoxy)-5-(trifluoromethyl)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
CID 18730835
5-[1,1,1,3,3,3-Hexafluoro-2-[2-[3-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione
CID 20667350
5-[2-[2-[4-[4-Tert-butyl-2-(4-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione
CID 20679342
2-[4-[5-Tert-butyl-2-[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]phenoxy]phenoxy]phenyl]-6-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 20679359
5-[1,1,1,3,3,3-Hexafluoro-2-[2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-[5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione
CID 20727118
5-[2-[2-Diphenylphosphoryl-3-methyl-5-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione
CID 20750500

Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione?
The IUPAC name of 5-[2-[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione (CID 58300660) is 5-[2-[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione.
What is the SMILES notation for 5-[2-[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione?
The canonical SMILES for 5-[2-[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione is Cc1ccc(C(c2ccc(C)c(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(C)C6=O)cc4C3=O)c2)(C(F)(F)F)C(F)(F)F)cc1N1C(=O)c2ccc(Oc3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O.
What is the InChIKey of 5-[2-[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione?
The InChIKey is ZWCQVXWEXCDAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30F6N4O10/c1-23-5-7-25(17-39(23)60-45(66)33-15-11-29(21-37(33)47(60)68)70-27-9-13-31-35(19-27)43(64)58(3)41(31)62)49(50(52,53)54,51(55,56)57)26-8-6-24(2)40(18-26)61-46(67)34-16-12-30(22-38(34)48(61)69)71-28-10-14-32-36(20-28)44(65)59(4)42(32)63/h5-22H,1-4H3.
What are the key properties of 5-[2-[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione?
5-[2-[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione has a molecular weight of 972.81 g/mol, XLogP of 9.35, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-[1,1,1,3,3,3-hexafluoro-2-[4-methyl-3-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]phenyl]propan-2-yl]-2-methylphenyl]-1,3-dioxoisoindol-5-yl]oxy-2-methylisoindole-1,3-dione is sourced from PubChem (CID 58300660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).