6-[3-[4-[4-[4-[4-[3-[1,3,5,7-tetraoxo-2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindol-6-yl]phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]phenyl]-2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

C70H36F6N4O14S2 — CID 45489458

IUPAC6-[3-[4-[4-[4-[4-[3-[1,3,5,7-tetraoxo-2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindol-6-yl]phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]phenyl]-2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESO=c1c2cc3c(=O)n(-c4cccc(C(F)(F)F)c4)c(=O)c3cc2c(=O)n1-c1cccc(Oc2ccc(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)c5ccc(Oc6cccc(-n7c(=O)c8cc9c(=O)n(-c%10cccc(C(F)(F)F)c%10)c(=O)c9cc8c7=O)c6)cc5)cc4)cc3)cc2)c1
InChIInChI=1S/C70H36F6N4O14S2/c71-69(72,73)39-5-1-7-41(29-39)77-61(81)53-33-57-58(34-54(53)62(77)82)66(86)79(65(57)85)43-9-3-11-47(31-43)93-45-17-25-51(26-18-45)95(89,90)49-21-13-37(14-22-49)38-15-23-50(24-16-38)96(91,92)52-27-19-46(20-28-52)94-48-12-4-10-44(32-48)80-67(87)59-35-55-56(36-60(59)68(80)88)64(84)78(63(55)83)42-8-2-6-40(30-42)70(74,75)76/h1-36H
InChIKeyYDPQPQRSEHASTI-UHFFFAOYSA-N
MW1335.19 g/mol
LogP11.05
Rot. Bonds13

About 6-[3-[4-[4-[4-[4-[3-[1,3,5,7-tetraoxo-2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindol-6-yl]phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]phenyl]-2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

6-[3-[4-[4-[4-[4-[3-[1,3,5,7-tetraoxo-2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindol-6-yl]phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]phenyl]-2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 45489458) has the molecular formula C70H36F6N4O14S2 and a molecular weight of 1335.19 g/mol. Its IUPAC name is 6-[3-[4-[4-[4-[4-[3-[1,3,5,7-tetraoxo-2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindol-6-yl]phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]phenyl]-2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name6-[3-[4-[4-[4-[4-[3-[1,3,5,7-tetraoxo-2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindol-6-yl]phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]phenyl]-2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID45489458
Molecular FormulaC70H36F6N4O14S2
Molecular Weight1335.19 g/mol
Exact Mass1334.16
IUPAC Name6-[3-[4-[4-[4-[4-[3-[1,3,5,7-tetraoxo-2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindol-6-yl]phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]phenyl]-2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESO=c1c2cc3c(=O)n(-c4cccc(C(F)(F)F)c4)c(=O)c3cc2c(=O)n1-c1cccc(Oc2ccc(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)c5ccc(Oc6cccc(-n7c(=O)c8cc9c(=O)n(-c%10cccc(C(F)(F)F)c%10)c(=O)c9cc8c7=O)c6)cc5)cc4)cc3)cc2)c1
InChIInChI=1S/C70H36F6N4O14S2/c71-69(72,73)39-5-1-7-41(29-39)77-61(81)53-33-57-58(34-54(53)62(77)82)66(86)79(65(57)85)43-9-3-11-47(31-43)93-45-17-25-51(26-18-45)95(89,90)49-21-13-37(14-22-49)38-15-23-50(24-16-38)96(91,92)52-27-19-46(20-28-52)94-48-12-4-10-44(32-48)80-67(87)59-35-55-56(36-60(59)68(80)88)64(84)78(63(55)83)42-8-2-6-40(30-42)70(74,75)76/h1-36H
InChIKeyYDPQPQRSEHASTI-UHFFFAOYSA-N
XLogP11.05
TPSA243.02 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds13
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001335.19
LogP ≤ 511.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 6-[3-[4-[4-[4-[4-[3-[1,3,5,7-tetraoxo-2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindol-6-yl]phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]phenyl]-2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone with MolForge

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Related Compounds

6-[3-[4-[4-[4-[4-[3-[5,7,12,14-Tetraoxo-13-[3-(trifluoromethyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]phenyl]-13-[3-(trifluoromethyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 45489460
6,13-Bis[3-[4-[4-[4-[4-[3-[5,7,12,14-tetraoxo-13-[3-(trifluoromethyl)phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]phenyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 45489463
5-[1,1,1,3,3,3-Hexafluoro-2-[2-[3-[4-[4-(3-methylphenoxy)phenyl]sulfonylphenoxy]phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione
CID 54150845
Difluoro-[5-[4-[4-[6-(4-methoxyphenyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]phenoxy]phenyl]sulfonyl-2-methylphenyl]methanesulfonic acid
CID 58983609
1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoro-6-[5-[4-[4-[5-[2-(4-methoxyphenyl)-1,3-dioxoisoindol-5-yl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]sulfonyl-2-methylphenyl]hexane-1-sulfonic acid
CID 58983628
1,1,2,2-Tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[5-[4-[3-[6-(3-methoxyphenyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl]phenoxy]phenyl]sulfinyl-2-methylphenyl]ethoxy]ethanesulfonic acid
CID 58983651
N-[4-[4-[4-[4-[[2-[4-(2,4-dimethylphenyl)-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindole-5-carbonyl]amino]phenoxy]phenyl]sulfonylphenoxy]phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 89901062
5-[2-[2-[4-[3-[3-(3-Aminophenoxy)phenyl]sulfonylphenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione
CID 138534689
Bis(4-phenoxyphenyl)methanone;5-[1,3-dioxo-2-(4-phenoxyphenyl)isoindole-5-carbonyl]-2-(4-phenoxyphenyl)isoindole-1,3-dione;5-[2-[1,3-dioxo-2-(4-phenoxyphenyl)isoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-(4-phenoxyphenyl)isoindole-1,3-dione;5-[1,3-dioxo-2-(4-phenoxyphenyl)isoindol-5-yl]oxy-2-(4-phenoxyphenyl)isoindole-1,3-dione;5-[1,3-dioxo-2-(4-phenoxyphenyl)isoindol-5-yl]-2-(4-phenoxyphenyl)isoindole-1,3-dione;5-[1,3-dioxo-2-(4-phenoxyphenyl)isoindol-5-yl]sulfonyl-2-(4-phenoxyphenyl)isoindole-1,3-dione;[4-(4-phenoxybenzoyl)phenyl]-(4-phenoxyphenyl)methanone;1-phenoxy-4-(4-phenoxyphenyl)sulfonylbenzene
CID 158692870
Tris(4-[4-(2,4-dimethylphenyl)-3-methylphenyl]-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone);2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindole-5-carbonyl]isoindole-1,3-dione;2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione
CID 159274562
3-[4-[4-(3-Aminophenoxy)phenyl]sulfonylphenoxy]aniline;5-[2-[2-[4-[3-[3-(3-aminophenoxy)phenyl]sulfonylphenoxy]phenyl]-1,3-dioxoisoindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-methylisoindole-1,3-dione;5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1-trifluoropropan-2-yl]-2-benzofuran-1,3-dione
CID 159468246
Tris(4-[4-(2,4-dimethylphenyl)-3-methylphenyl]-10-methyl-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane-3,5,9,11-tetrone);5-[1,1,1,3,3,3-hexafluoro-2-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]propan-2-yl]-2-methylisoindole-1,3-dione;2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione;2-methyl-5-[2-[4-[4-methyl-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)phenyl]-1,3-dioxoisoindol-5-yl]sulfonylisoindole-1,3-dione
CID 161007389

Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-[4-[4-[4-[3-[1,3,5,7-tetraoxo-2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindol-6-yl]phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]phenyl]-2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 6-[3-[4-[4-[4-[4-[3-[1,3,5,7-tetraoxo-2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindol-6-yl]phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]phenyl]-2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 45489458) is 6-[3-[4-[4-[4-[4-[3-[1,3,5,7-tetraoxo-2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindol-6-yl]phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]phenyl]-2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 6-[3-[4-[4-[4-[4-[3-[1,3,5,7-tetraoxo-2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindol-6-yl]phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]phenyl]-2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 6-[3-[4-[4-[4-[4-[3-[1,3,5,7-tetraoxo-2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindol-6-yl]phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]phenyl]-2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is O=c1c2cc3c(=O)n(-c4cccc(C(F)(F)F)c4)c(=O)c3cc2c(=O)n1-c1cccc(Oc2ccc(S(=O)(=O)c3ccc(-c4ccc(S(=O)(=O)c5ccc(Oc6cccc(-n7c(=O)c8cc9c(=O)n(-c%10cccc(C(F)(F)F)c%10)c(=O)c9cc8c7=O)c6)cc5)cc4)cc3)cc2)c1.
What is the InChIKey of 6-[3-[4-[4-[4-[4-[3-[1,3,5,7-tetraoxo-2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindol-6-yl]phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]phenyl]-2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is YDPQPQRSEHASTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H36F6N4O14S2/c71-69(72,73)39-5-1-7-41(29-39)77-61(81)53-33-57-58(34-54(53)62(77)82)66(86)79(65(57)85)43-9-3-11-47(31-43)93-45-17-25-51(26-18-45)95(89,90)49-21-13-37(14-22-49)38-15-23-50(24-16-38)96(91,92)52-27-19-46(20-28-52)94-48-12-4-10-44(32-48)80-67(87)59-35-55-56(36-60(59)68(80)88)64(84)78(63(55)83)42-8-2-6-40(30-42)70(74,75)76/h1-36H.
What are the key properties of 6-[3-[4-[4-[4-[4-[3-[1,3,5,7-tetraoxo-2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindol-6-yl]phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]phenyl]-2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
6-[3-[4-[4-[4-[4-[3-[1,3,5,7-tetraoxo-2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindol-6-yl]phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]phenyl]-2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 1335.19 g/mol, XLogP of 11.05, 13 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-[4-[4-[4-[3-[1,3,5,7-tetraoxo-2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindol-6-yl]phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]phenyl]-2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 45489458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).