4,5,7-trichloro-2-methyl-6-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4,6,7-trichloro-2-(3-chloro-2,4,6-trifluorophenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]phenoxy]isoindole-1,3-dione

C35H4Cl7F11N2O7 — CID 20820484

IUPAC4,5,7-trichloro-2-methyl-6-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4,6,7-trichloro-2-(3-chloro-2,4,6-trifluorophenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]phenoxy]isoindole-1,3-dione
SMILESCN1C(=O)c2c(Cl)c(Cl)c(Oc3c(F)c(F)c(Oc4c(F)c(F)c(Oc5c(Cl)c(Cl)c6c(c5Cl)C(=O)N(c5c(F)cc(F)c(Cl)c5F)C6=O)c(F)c4F)c(F)c3F)c(Cl)c2C1=O
InChIInChI=1S/C35H4Cl7F11N2O7/c1-54-32(56)5-7(33(54)57)12(39)26(14(41)10(5)37)60-28-17(46)21(50)30(22(51)18(28)47)62-31-23(52)19(48)29(20(49)24(31)53)61-27-13(40)8-6(11(38)15(27)42)34(58)55(35(8)59)25-4(44)2-3(43)9(36)16(25)45/h2H,1H3
InChIKeyDSFOMVNWUNYPIT-UHFFFAOYSA-N
MW1021.57 g/mol
LogP13.19
Rot. Bonds7

About 4,5,7-trichloro-2-methyl-6-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4,6,7-trichloro-2-(3-chloro-2,4,6-trifluorophenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]phenoxy]isoindole-1,3-dione

4,5,7-trichloro-2-methyl-6-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4,6,7-trichloro-2-(3-chloro-2,4,6-trifluorophenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]phenoxy]isoindole-1,3-dione (PubChem CID 20820484) has the molecular formula C35H4Cl7F11N2O7 and a molecular weight of 1021.57 g/mol. Its IUPAC name is 4,5,7-trichloro-2-methyl-6-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4,6,7-trichloro-2-(3-chloro-2,4,6-trifluorophenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]phenoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name4,5,7-trichloro-2-methyl-6-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4,6,7-trichloro-2-(3-chloro-2,4,6-trifluorophenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]phenoxy]isoindole-1,3-dione
PubChem CID20820484
Molecular FormulaC35H4Cl7F11N2O7
Molecular Weight1021.57 g/mol
Exact Mass1017.77
IUPAC Name4,5,7-trichloro-2-methyl-6-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4,6,7-trichloro-2-(3-chloro-2,4,6-trifluorophenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]phenoxy]isoindole-1,3-dione
SMILESCN1C(=O)c2c(Cl)c(Cl)c(Oc3c(F)c(F)c(Oc4c(F)c(F)c(Oc5c(Cl)c(Cl)c6c(c5Cl)C(=O)N(c5c(F)cc(F)c(Cl)c5F)C6=O)c(F)c4F)c(F)c3F)c(Cl)c2C1=O
InChIInChI=1S/C35H4Cl7F11N2O7/c1-54-32(56)5-7(33(54)57)12(39)26(14(41)10(5)37)60-28-17(46)21(50)30(22(51)18(28)47)62-31-23(52)19(48)29(20(49)24(31)53)61-27-13(40)8-6(11(38)15(27)42)34(58)55(35(8)59)25-4(44)2-3(43)9(36)16(25)45/h2H,1H3
InChIKeyDSFOMVNWUNYPIT-UHFFFAOYSA-N
XLogP13.19
TPSA102.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001021.57
LogP ≤ 513.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4,5,7-trichloro-2-methyl-6-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4,6,7-trichloro-2-(3-chloro-2,4,6-trifluorophenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]phenoxy]isoindole-1,3-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4,5,7-trichloro-2-methyl-6-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4,6,7-trichloro-2-(3-chloro-2,4,6-trifluorophenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]phenoxy]isoindole-1,3-dione?
The IUPAC name of 4,5,7-trichloro-2-methyl-6-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4,6,7-trichloro-2-(3-chloro-2,4,6-trifluorophenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]phenoxy]isoindole-1,3-dione (CID 20820484) is 4,5,7-trichloro-2-methyl-6-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4,6,7-trichloro-2-(3-chloro-2,4,6-trifluorophenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]phenoxy]isoindole-1,3-dione.
What is the SMILES notation for 4,5,7-trichloro-2-methyl-6-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4,6,7-trichloro-2-(3-chloro-2,4,6-trifluorophenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]phenoxy]isoindole-1,3-dione?
The canonical SMILES for 4,5,7-trichloro-2-methyl-6-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4,6,7-trichloro-2-(3-chloro-2,4,6-trifluorophenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]phenoxy]isoindole-1,3-dione is CN1C(=O)c2c(Cl)c(Cl)c(Oc3c(F)c(F)c(Oc4c(F)c(F)c(Oc5c(Cl)c(Cl)c6c(c5Cl)C(=O)N(c5c(F)cc(F)c(Cl)c5F)C6=O)c(F)c4F)c(F)c3F)c(Cl)c2C1=O.
What is the InChIKey of 4,5,7-trichloro-2-methyl-6-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4,6,7-trichloro-2-(3-chloro-2,4,6-trifluorophenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]phenoxy]isoindole-1,3-dione?
The InChIKey is DSFOMVNWUNYPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H4Cl7F11N2O7/c1-54-32(56)5-7(33(54)57)12(39)26(14(41)10(5)37)60-28-17(46)21(50)30(22(51)18(28)47)62-31-23(52)19(48)29(20(49)24(31)53)61-27-13(40)8-6(11(38)15(27)42)34(58)55(35(8)59)25-4(44)2-3(43)9(36)16(25)45/h2H,1H3.
What are the key properties of 4,5,7-trichloro-2-methyl-6-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4,6,7-trichloro-2-(3-chloro-2,4,6-trifluorophenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]phenoxy]isoindole-1,3-dione?
4,5,7-trichloro-2-methyl-6-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4,6,7-trichloro-2-(3-chloro-2,4,6-trifluorophenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]phenoxy]isoindole-1,3-dione has a molecular weight of 1021.57 g/mol, XLogP of 13.19, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,7-trichloro-2-methyl-6-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[4,6,7-trichloro-2-(3-chloro-2,4,6-trifluorophenyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]phenoxy]isoindole-1,3-dione is sourced from PubChem (CID 20820484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).