4,8-bis(4-methylphenoxy)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-methyl-4,8-bis(4-methylphenoxy)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

C65H42F6N2O14 — CID 56624770

IUPAC4,8-bis(4-methylphenoxy)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-methyl-4,8-bis(4-methylphenoxy)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCc1ccc(Oc2c3c(=O)n(C)c(=O)c3c(Oc3ccc(C)cc3)c3c(=O)n(-c4ccc(C(c5ccc(C)cc5)(C(F)(F)F)C(F)(F)F)cc4)c(=O)c23)cc1.Cc1ccc(Oc2c3c(=O)oc(=O)c3c(Oc3ccc(C)cc3)c3c(=O)oc(=O)c23)cc1
InChIInChI=1S/C41H28F6N2O6.C24H14O8/c1-21-5-11-24(12-6-21)39(40(42,43)44,41(45,46)47)25-13-15-26(16-14-25)49-37(52)31-32(38(49)53)34(55-28-19-9-23(3)10-20-28)30-29(35(50)48(4)36(30)51)33(31)54-27-17-7-22(2)8-18-27;1-11-3-7-13(8-4-11)29-19-15-17(23(27)31-21(15)25)20(18-16(19)22(26)32-24(18)28)30-14-9-5-12(2)6-10-14/h5-20H,1-4H3;3-10H,1-2H3
InChIKeyUPSSOBZICILADM-UHFFFAOYSA-N
MW1189.04 g/mol
LogP12.06
Rot. Bonds11

About 4,8-bis(4-methylphenoxy)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-methyl-4,8-bis(4-methylphenoxy)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

4,8-bis(4-methylphenoxy)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-methyl-4,8-bis(4-methylphenoxy)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 56624770) has the molecular formula C65H42F6N2O14 and a molecular weight of 1189.04 g/mol. Its IUPAC name is 4,8-bis(4-methylphenoxy)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-methyl-4,8-bis(4-methylphenoxy)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name4,8-bis(4-methylphenoxy)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-methyl-4,8-bis(4-methylphenoxy)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID56624770
Molecular FormulaC65H42F6N2O14
Molecular Weight1189.04 g/mol
Exact Mass1188.25
IUPAC Name4,8-bis(4-methylphenoxy)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-methyl-4,8-bis(4-methylphenoxy)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCc1ccc(Oc2c3c(=O)n(C)c(=O)c3c(Oc3ccc(C)cc3)c3c(=O)n(-c4ccc(C(c5ccc(C)cc5)(C(F)(F)F)C(F)(F)F)cc4)c(=O)c23)cc1.Cc1ccc(Oc2c3c(=O)oc(=O)c3c(Oc3ccc(C)cc3)c3c(=O)oc(=O)c23)cc1
InChIInChI=1S/C41H28F6N2O6.C24H14O8/c1-21-5-11-24(12-6-21)39(40(42,43)44,41(45,46)47)25-13-15-26(16-14-25)49-37(52)31-32(38(49)53)34(55-28-19-9-23(3)10-20-28)30-29(35(50)48(4)36(30)51)33(31)54-27-17-7-22(2)8-18-27;1-11-3-7-13(8-4-11)29-19-15-17(23(27)31-21(15)25)20(18-16(19)22(26)32-24(18)28)30-14-9-5-12(2)6-10-14/h5-20H,1-4H3;3-10H,1-2H3
InChIKeyUPSSOBZICILADM-UHFFFAOYSA-N
XLogP12.06
TPSA209.62 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001189.04
LogP ≤ 512.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 4,8-bis(4-methylphenoxy)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-methyl-4,8-bis(4-methylphenoxy)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone with MolForge

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Related Compounds

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
7-[4-[1,1,1,3,3,3-Hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-17-methyl-2-oxa-7,17-diazapentacyclo[11.7.0.03,11.05,9.015,19]icosa-1(20),3,5(9),10,13,15(19)-hexaene-6,8,16,18-tetrone
CID 22943203
5-[2-[2-[4-[2-Tert-butyl-4-(4-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione
CID 53863872
5-[4-[2-[4-[2-[4-[2-Tert-butyl-4-(4-methylphenoxy)phenoxy]phenyl]-1,3-dioxoisoindol-5-yl]oxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]-2-methylisoindole-1,3-dione
CID 54491908
2-[4-[4-[1,1,1,3,3,3-Hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]phenyl]-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 56612456
(4-Methylphenyl) 2-[4-[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]-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindole-5-carboxylate
CID 57987864
5-[2-[5-[1,1,1,3,3,3-Hexafluoro-2-[4-methyl-3-[5-[2-(4-methylphenyl)-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 58300673
8-[4-[4-[2-[4-[4-(2,6-Dimethyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-8-yl)oxy-2,3,5,6-tetrafluorophenoxy]phenyl]-1,1,1-trifluoropropan-2-yl]phenoxy]-2,3,5,6-tetrafluorophenoxy]-2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 58422088
8-[4-[4-[2-[4-[4-(2,6-Dimethyl-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-8-yl)oxy-2,3,5,6-tetrafluorophenoxy]phenyl]propan-2-yl]phenoxy]-2,3,5,6-tetrafluorophenoxy]-2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 58422090
2-[4-(2,4-Dimethylphenyl)-3-(trifluoromethyl)phenyl]-6-methyl-8-(2,3,4,5,6-pentafluorophenoxy)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 58422091
2-[4-(2,4-Dimethylphenyl)-3-(trifluoromethyl)phenyl]-6-methyl-4,8-bis(2,3,4,5,6-pentafluorophenoxy)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 58422098

Frequently Asked Questions

What is the IUPAC name of 4,8-bis(4-methylphenoxy)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-methyl-4,8-bis(4-methylphenoxy)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 4,8-bis(4-methylphenoxy)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-methyl-4,8-bis(4-methylphenoxy)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 56624770) is 4,8-bis(4-methylphenoxy)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-methyl-4,8-bis(4-methylphenoxy)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 4,8-bis(4-methylphenoxy)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-methyl-4,8-bis(4-methylphenoxy)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 4,8-bis(4-methylphenoxy)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-methyl-4,8-bis(4-methylphenoxy)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is Cc1ccc(Oc2c3c(=O)n(C)c(=O)c3c(Oc3ccc(C)cc3)c3c(=O)n(-c4ccc(C(c5ccc(C)cc5)(C(F)(F)F)C(F)(F)F)cc4)c(=O)c23)cc1.Cc1ccc(Oc2c3c(=O)oc(=O)c3c(Oc3ccc(C)cc3)c3c(=O)oc(=O)c23)cc1.
What is the InChIKey of 4,8-bis(4-methylphenoxy)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-methyl-4,8-bis(4-methylphenoxy)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is UPSSOBZICILADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H28F6N2O6.C24H14O8/c1-21-5-11-24(12-6-21)39(40(42,43)44,41(45,46)47)25-13-15-26(16-14-25)49-37(52)31-32(38(49)53)34(55-28-19-9-23(3)10-20-28)30-29(35(50)48(4)36(30)51)33(31)54-27-17-7-22(2)8-18-27;1-11-3-7-13(8-4-11)29-19-15-17(23(27)31-21(15)25)20(18-16(19)22(26)32-24(18)28)30-14-9-5-12(2)6-10-14/h5-20H,1-4H3;3-10H,1-2H3.
What are the key properties of 4,8-bis(4-methylphenoxy)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-methyl-4,8-bis(4-methylphenoxy)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
4,8-bis(4-methylphenoxy)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-methyl-4,8-bis(4-methylphenoxy)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 1189.04 g/mol, XLogP of 12.06, 11 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-bis(4-methylphenoxy)furo[3,4-f][2]benzofuran-1,3,5,7-tetrone;2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-methyl-4,8-bis(4-methylphenoxy)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 56624770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).