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-trifluoro-5-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]phenoxy]isoindole-1,3-dione

C36H6Cl7F11N2O6 — CID 20820480

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-trifluoro-5-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]phenoxy]isoindole-1,3-dione
SMILESCc1c(F)c(Cl)c(F)c(N2C(=O)c3c(Cl)c(Cl)c(Oc4c(F)c(F)c(-c5c(F)c(F)c(Oc6c(Cl)c(Cl)c7c(c6Cl)C(=O)N(C)C7=O)c(F)c5F)c(F)c4F)c(Cl)c3C2=O)c1F
InChIInChI=1S/C36H6Cl7F11N2O6/c1-3-17(44)16(43)23(50)28(18(3)45)56-35(59)5-7(36(56)60)13(40)30(15(42)11(5)38)62-32-26(53)21(48)9(22(49)27(32)54)8-19(46)24(51)31(25(52)20(8)47)61-29-12(39)6-4(10(37)14(29)41)33(57)55(2)34(6)58/h1-2H3
InChIKeyUZXAAPYBEBALNU-UHFFFAOYSA-N
MW1019.60 g/mol
LogP13.38
Rot. Bonds6

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-trifluoro-5-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]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-trifluoro-5-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]phenoxy]isoindole-1,3-dione (PubChem CID 20820480) has the molecular formula C36H6Cl7F11N2O6 and a molecular weight of 1019.60 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-trifluoro-5-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]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-trifluoro-5-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]phenoxy]isoindole-1,3-dione
PubChem CID20820480
Molecular FormulaC36H6Cl7F11N2O6
Molecular Weight1019.60 g/mol
Exact Mass1015.79
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-trifluoro-5-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]phenoxy]isoindole-1,3-dione
SMILESCc1c(F)c(Cl)c(F)c(N2C(=O)c3c(Cl)c(Cl)c(Oc4c(F)c(F)c(-c5c(F)c(F)c(Oc6c(Cl)c(Cl)c7c(c6Cl)C(=O)N(C)C7=O)c(F)c5F)c(F)c4F)c(Cl)c3C2=O)c1F
InChIInChI=1S/C36H6Cl7F11N2O6/c1-3-17(44)16(43)23(50)28(18(3)45)56-35(59)5-7(36(56)60)13(40)30(15(42)11(5)38)62-32-26(53)21(48)9(22(49)27(32)54)8-19(46)24(51)31(25(52)20(8)47)61-29-12(39)6-4(10(37)14(29)41)33(57)55(2)34(6)58/h1-2H3
InChIKeyUZXAAPYBEBALNU-UHFFFAOYSA-N
XLogP13.38
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001019.60
LogP ≤ 513.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-trifluoro-5-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]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-trifluoro-5-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]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-trifluoro-5-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]phenoxy]isoindole-1,3-dione (CID 20820480) 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-trifluoro-5-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]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-trifluoro-5-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]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-trifluoro-5-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]phenoxy]isoindole-1,3-dione is Cc1c(F)c(Cl)c(F)c(N2C(=O)c3c(Cl)c(Cl)c(Oc4c(F)c(F)c(-c5c(F)c(F)c(Oc6c(Cl)c(Cl)c7c(c6Cl)C(=O)N(C)C7=O)c(F)c5F)c(F)c4F)c(Cl)c3C2=O)c1F.
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-trifluoro-5-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]phenoxy]isoindole-1,3-dione?
The InChIKey is UZXAAPYBEBALNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H6Cl7F11N2O6/c1-3-17(44)16(43)23(50)28(18(3)45)56-35(59)5-7(36(56)60)13(40)30(15(42)11(5)38)62-32-26(53)21(48)9(22(49)27(32)54)8-19(46)24(51)31(25(52)20(8)47)61-29-12(39)6-4(10(37)14(29)41)33(57)55(2)34(6)58/h1-2H3.
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-trifluoro-5-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]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-trifluoro-5-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]phenoxy]isoindole-1,3-dione has a molecular weight of 1019.60 g/mol, XLogP of 13.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 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-trifluoro-5-methylphenyl)-1,3-dioxoisoindol-5-yl]oxyphenyl]phenoxy]isoindole-1,3-dione is sourced from PubChem (CID 20820480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).