6,8-dimethyl-2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenoxy)phenyl]phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

C37H10F16N2O6 — CID 58422105

IUPAC6,8-dimethyl-2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenoxy)phenyl]phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCc1c(F)c(F)c(Oc2c(F)c(F)c(-c3c(F)c(F)c(Oc4c(F)c(F)c(-n5c(=O)c6cc7c(=O)n(C)c(=O)c7c(C)c6c5=O)c(F)c4F)c(F)c3F)c(F)c2F)c(F)c1F
InChIInChI=1S/C37H10F16N2O6/c1-5-9-7(34(56)54(3)36(9)58)4-8-10(5)37(59)55(35(8)57)29-19(44)27(52)33(28(53)20(29)45)61-32-25(50)17(42)12(18(43)26(32)51)11-15(40)23(48)31(24(49)16(11)41)60-30-21(46)13(38)6(2)14(39)22(30)47/h4H,1-3H3
InChIKeyPISUBQHZJWTGPI-UHFFFAOYSA-N
MW882.46 g/mol
LogP8.53
Rot. Bonds6

About 6,8-dimethyl-2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenoxy)phenyl]phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

6,8-dimethyl-2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenoxy)phenyl]phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 58422105) has the molecular formula C37H10F16N2O6 and a molecular weight of 882.46 g/mol. Its IUPAC name is 6,8-dimethyl-2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenoxy)phenyl]phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name6,8-dimethyl-2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenoxy)phenyl]phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID58422105
Molecular FormulaC37H10F16N2O6
Molecular Weight882.46 g/mol
Exact Mass882.03
IUPAC Name6,8-dimethyl-2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenoxy)phenyl]phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCc1c(F)c(F)c(Oc2c(F)c(F)c(-c3c(F)c(F)c(Oc4c(F)c(F)c(-n5c(=O)c6cc7c(=O)n(C)c(=O)c7c(C)c6c5=O)c(F)c4F)c(F)c3F)c(F)c2F)c(F)c1F
InChIInChI=1S/C37H10F16N2O6/c1-5-9-7(34(56)54(3)36(9)58)4-8-10(5)37(59)55(35(8)57)29-19(44)27(52)33(28(53)20(29)45)61-32-25(50)17(42)12(18(43)26(32)51)11-15(40)23(48)31(24(49)16(11)41)60-30-21(46)13(38)6(2)14(39)22(30)47/h4H,1-3H3
InChIKeyPISUBQHZJWTGPI-UHFFFAOYSA-N
XLogP8.53
TPSA96.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500882.46
LogP ≤ 58.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6,8-dimethyl-2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenoxy)phenyl]phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenoxy)phenyl]phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 6,8-dimethyl-2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenoxy)phenyl]phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 58422105) is 6,8-dimethyl-2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenoxy)phenyl]phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 6,8-dimethyl-2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenoxy)phenyl]phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 6,8-dimethyl-2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenoxy)phenyl]phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is Cc1c(F)c(F)c(Oc2c(F)c(F)c(-c3c(F)c(F)c(Oc4c(F)c(F)c(-n5c(=O)c6cc7c(=O)n(C)c(=O)c7c(C)c6c5=O)c(F)c4F)c(F)c3F)c(F)c2F)c(F)c1F.
What is the InChIKey of 6,8-dimethyl-2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenoxy)phenyl]phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is PISUBQHZJWTGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H10F16N2O6/c1-5-9-7(34(56)54(3)36(9)58)4-8-10(5)37(59)55(35(8)57)29-19(44)27(52)33(28(53)20(29)45)61-32-25(50)17(42)12(18(43)26(32)51)11-15(40)23(48)31(24(49)16(11)41)60-30-21(46)13(38)6(2)14(39)22(30)47/h4H,1-3H3.
What are the key properties of 6,8-dimethyl-2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenoxy)phenyl]phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
6,8-dimethyl-2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenoxy)phenyl]phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 882.46 g/mol, XLogP of 8.53, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-2-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenoxy)phenyl]phenoxy]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 58422105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).